4-[1-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide

Systemtic Name: 4-[1-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide Openeye Name: 4-[1-(2-amino-2-oxo-ethyl)-4-methyl-piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide CAS Name: 4-[1-(2-amino-2-oxoethyl)-4-methyl-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)benzamide IUPAC Name: 4-[1-(2-amino-2-oxoethyl)-4-methylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-[1-(2-amino-2-keto-ethyl)-4-methyl-piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)[N+]3(CCN(CC3)C)CC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)[N+]3(CCN(CC3)C)CC(=O)N

InChI

InChI=1S/C22H28N4O2/c1-16-5-4-6-17(2)21(16)24-22(28)18-7-9-19(10-8-18)26(15-20(23)27)13-11-25(3)12-14-26/h4-10H,11-15H2,1-3H3,(H2-,23,24,27,28)/p+1