2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenethylacetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-phenethyl-acetamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-19-7-5-6-10-21(19)17-24-13-15-25(16-14-24)18-22(26)23-12-11-20-8-3-2-4-9-20/h2-10H,11-18H2,1H3,(H,23,26)/p+2