propyl 4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid propyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O3/c1-3-16-29-23(28)19-8-10-20(11-9-19)24-22(27)17-25-12-14-26(15-13-25)21-7-5-4-6-18(21)2/h4-11H,3,12-17H2,1-2H3,(H,24,27)/p+1