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

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-2-19-10-6-7-11-20(19)24-21(27)17-25-12-14-26(15-13-25)22(28)23-16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,23,28)(H,24,27)/p+1