methyl 3-[(3-methoxynaphthalen-2-yl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: methyl 3-[(3-methoxynaphthalen-2-yl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate CAS Name: 3-[[(3-methoxy-2-naphthalenyl)-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-methoxynaphthalene-2-carbonyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-methoxy-2-naphthoyl)amino]benzoic acid methyl ester Formula: C31H32N3O4+ MolecularWeight: 510.60348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O4/c1-37-29-20-24-11-7-6-10-23(24)18-26(29)30(35)32-27-19-25(31(36)38-2)12-13-28(27)34-16-14-33(15-17-34)21-22-8-4-3-5-9-22/h3-13,18-20H,14-17,21H2,1-2H3,(H,32,35)/p+1