2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenethylacetamide IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(3-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=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

InChI

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