methyl 4-chloranyl-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-4-chlorobenzoate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O3/c1-27-21(26)17-7-8-18(22)19(13-17)23-20(25)16-9-11-24(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,23,25)/p+1