ethyl 3-[(4-ethylphenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: ethyl 3-[(4-ethylphenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: ethyl 3-[(4-ethylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(4-ethylphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(4-ethylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid ethyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC

InChI

InChI=1S/C24H31N3O3/c1-4-18-7-9-19(10-8-18)23(28)25-21-17-20(24(29)30-6-3)11-12-22(21)27-15-13-26(5-2)14-16-27/h7-12,17H,4-6,13-16H2,1-3H3,(H,25,28)/p+1