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

Systemtic Name: ethyl 3-[(3-methoxynaphthalen-2-yl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C32H34N3O4+ MolecularWeight: 524.63006

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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=CC5=CC=CC=C5C=C4OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4OC

InChI

InChI=1S/C32H33N3O4/c1-3-39-32(37)26-13-14-29(35-17-15-34(16-18-35)22-23-9-5-4-6-10-23)28(20-26)33-31(36)27-19-24-11-7-8-12-25(24)21-30(27)38-2/h4-14,19-21H,3,15-18,22H2,1-2H3,(H,33,36)/p+1