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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

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