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

Systemtic Name: methyl 4-[[2-[(1-cyclopentylpiperidin-1-ium-4-yl)methylamino]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[(1-cyclopentylpiperidin-1-ium-4-yl)methylamino]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclopentyl-4-piperidin-1-iumyl)methylamino]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1-cyclopentylpiperidin-1-ium-4-yl)methylamino]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopentylpiperidin-1-ium-4-yl)methylamino]-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C21H29N3O4/c1-28-21(27)16-6-8-17(9-7-16)23-20(26)19(25)22-14-15-10-12-24(13-11-15)18-4-2-3-5-18/h6-9,15,18H,2-5,10-14H2,1H3,(H,22,25)(H,23,26)/p+1