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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)C

InChI

InChI=1S/C22H29N3O/c1-4-19-10-7-9-18(3)22(19)23-21(26)16-24-12-14-25(15-13-24)20-11-6-5-8-17(20)2/h5-11H,4,12-16H2,1-3H3,(H,23,26)/p+1