N-(2,6-dimethylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(p-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H29N3O/c1-17-7-9-20(10-8-17)15-24-11-13-25(14-12-24)16-21(26)23-22-18(2)5-4-6-19(22)3/h4-10H,11-16H2,1-3H3,(H,23,26)/p+1