[(2R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[4-(4-oxidanidylmorpholin-4-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-(4-oxidanidylmorpholin-4-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-(4-oxidomorpholin-4-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-(4-oxido-4-morpholin-4-iumyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(4-oxidomorpholin-4-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-(4-oxidomorpholin-4-ium-4-yl)piperidino]ethyl] ester Formula: C35H47N5O7 MolecularWeight: 649.77698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)N2CCC(CC2)[N+]3(CCOCC3)[O-])OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@H](C(=O)N2CCC(CC2)[N+]3(CCOCC3)[O-])OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C35H47N5O7/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)37-14-10-29(11-15-37)40(45)17-19-46-20-18-40)47-35(44)38-12-8-28(9-13-38)39-16-7-27-5-3-4-6-30(27)36-34(39)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1