propyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid propyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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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=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-3-15-30-23(28)18-7-9-19(10-8-18)24-22(27)17-25-11-13-26(14-12-25)20-5-4-6-21(16-20)29-2/h4-10,16H,3,11-15,17H2,1-2H3,(H,24,27)/p+1