N-(3-methylphenyl)-2-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(3-methylanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[2-(3-methylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-[2-keto-2-(m-toluidino)ethyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C

InChI

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