[(2R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[4-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[4-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-2-[4-(1-methyl-1-oxido-piperidin-1-ium-4-yl)-1-piperidyl]-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(1-methyl-1-oxido-4-piperidin-1-iumyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(1-methyl-1-oxidopiperidin-1-ium-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-(4-hydroxy-3,5-dimethyl-benzyl)-2-keto-2-[4-(1-methyl-1-oxido-piperidin-1-ium-4-yl)piperidino]ethyl] ester Formula: C37H51N5O6 MolecularWeight: 661.83074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)N2CCC(CC2)C3CC[N+](CC3)(C)[O-])OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@H](C(=O)N2CCC(CC2)C3CC[N+](CC3)(C)[O-])OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C37H51N5O6/c1-25-22-27(23-26(2)34(25)43)24-33(35(44)39-15-8-28(9-16-39)29-13-20-42(3,47)21-14-29)48-37(46)40-17-11-31(12-18-40)41-19-10-30-6-4-5-7-32(30)38-36(41)45/h4-7,22-23,28-29,31,33,43H,8-21,24H2,1-3H3,(H,38,45)/t29?,33-,42?/m1/s1