ethyl 3-[(2,6-dimethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-[(2,6-dimethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(2,6-dimethoxybenzoyl)amino]benzoate CAS Name: 3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(2,6-dimethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(2,6-dimethoxybenzoyl)amino]benzoic acid ethyl ester Formula: C29H34N3O5+ MolecularWeight: 504.59736

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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=C4OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O5/c1-4-37-29(34)22-13-14-24(32-17-15-31(16-18-32)20-21-9-6-5-7-10-21)23(19-22)30-28(33)27-25(35-2)11-8-12-26(27)36-3/h5-14,19H,4,15-18,20H2,1-3H3,(H,30,33)/p+1