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

Systemtic Name: methyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O4/c1-27-19-8-6-18(7-9-19)24-12-10-23(11-13-24)15-20(25)22-17-5-3-4-16(14-17)21(26)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1