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

Systemtic Name: ethyl 3-[(3-methoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H31N3O4/c1-3-35-28(33)23-12-13-26(25(19-23)29-27(32)22-10-7-11-24(18-22)34-2)31-16-14-30(15-17-31)20-21-8-5-4-6-9-21/h4-13,18-19H,3,14-17,20H2,1-2H3,(H,29,32)/p+1