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

Systemtic Name: butyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-3-4-16-31-24(29)19-8-10-20(11-9-19)25-23(28)18-26-12-14-27(15-13-26)21-6-5-7-22(17-21)30-2/h5-11,17H,3-4,12-16,18H2,1-2H3,(H,25,28)/p+1