methyl 4-[[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methylamino]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methylamino]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[(1-benzylpiperidin-1-ium-4-yl)methylamino]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methylamino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1-benzylpiperidin-1-ium-4-yl)methylamino]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-benzylpiperidin-1-ium-4-yl)methylamino]-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-30-23(29)19-7-9-20(10-8-19)25-22(28)21(27)24-15-17-11-13-26(14-12-17)16-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,24,27)(H,25,28)/p+1