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

Systemtic Name: 3-methyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-methyl-N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-methyl-N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 3-methyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-3-methyl-benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O2/c1-17-6-5-9-19(14-17)22(27)23-15-21(26)25-12-10-24(11-13-25)16-20-8-4-3-7-18(20)2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)/p+1