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

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3,4-dimethoxybenzoyl)amino]benzoate CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3,4-dimethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(veratroylamino)benzoic acid methyl ester Formula: C28H32N3O5+ MolecularWeight: 490.57078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O5/c1-34-25-12-10-21(18-26(25)35-2)27(32)29-23-17-22(28(33)36-3)9-11-24(23)31-15-13-30(14-16-31)19-20-7-5-4-6-8-20/h4-12,17-18H,13-16,19H2,1-3H3,(H,29,32)/p+1