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

Systemtic Name: methyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O4/c1-28-20-9-7-19(8-10-20)25-13-11-24(12-14-25)16-21(26)23-15-17-3-5-18(6-4-17)22(27)29-2/h3-10H,11-16H2,1-2H3,(H,23,26)/p+1