ethyl 3-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(5-chloro-2-methoxy-benzoyl)amino]benzoate CAS Name: 3-[[(5-chloro-2-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-[(5-chloro-2-methoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(5-chloro-2-methoxy-benzoyl)amino]benzoic acid ethyl ester Formula: C28H31ClN3O4+ MolecularWeight: 509.01644

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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=C(C=CC(=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN3O4/c1-3-36-28(34)21-9-11-25(32-15-13-31(14-16-32)19-20-7-5-4-6-8-20)24(17-21)30-27(33)23-18-22(29)10-12-26(23)35-2/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,30,33)/p+1