methyl 2-[2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H24ClN2O4+ MolecularWeight: 415.88996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O4/c1-29-22(28)18-4-2-3-5-19(18)24-20(26)14-25-12-10-16(11-13-25)21(27)15-6-8-17(23)9-7-15/h2-9,16H,10-14H2,1H3,(H,24,26)/p+1