methyl 3-[(3-methoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: methyl 3-[(3-methoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-methoxybenzoyl)amino]benzoate CAS Name: 3-[[(3-methoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-methoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(m-anisoylamino)benzoic acid methyl ester Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-33-23-10-6-9-21(17-23)26(31)28-24-18-22(27(32)34-2)11-12-25(24)30-15-13-29(14-16-30)19-20-7-4-3-5-8-20/h3-12,17-18H,13-16,19H2,1-2H3,(H,28,31)/p+1