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

Systemtic Name: ethyl 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-chloro-4-ethoxy-benzoyl)amino]benzoate CAS Name: 3-[[(3-chloro-4-ethoxyphenyl)-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-chloro-4-ethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-chloro-4-ethoxy-benzoyl)amino]benzoic acid ethyl ester Formula: C29H33ClN3O4+ MolecularWeight: 523.04302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H32ClN3O4/c1-3-36-27-13-11-22(18-24(27)30)28(34)31-25-19-23(29(35)37-4-2)10-12-26(25)33-16-14-32(15-17-33)20-21-8-6-5-7-9-21/h5-13,18-19H,3-4,14-17,20H2,1-2H3,(H,31,34)/p+1