4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-2-keto-ethyl]-N-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N4O2/c1-3-20-6-4-5-7-21(20)25-22(28)17-26-12-14-27(15-13-26)23(29)24-16-19-10-8-18(2)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,24,29)(H,25,28)/p+1