[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C25H32N2O4/c1-19(2)16-23(21-6-4-3-5-7-21)26-24(28)18-31-25(29)22-10-8-20(9-11-22)17-27-12-14-30-15-13-27/h3-11,19,23H,12-18H2,1-2H3,(H,26,28)/p+1/t23-/m1/s1