methyl 4-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-29-22(28)17-7-9-19(10-8-17)23-20(26)15-25-13-11-16(12-14-25)21(27)24-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,23,26)(H,24,27)/p+1