4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-[2-(2,3-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3)C

InChI

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