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

Systemtic Name: N-(3-ethanoylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H27N3O2/c1-17-6-3-4-7-20(17)15-24-10-12-25(13-11-24)16-22(27)23-21-9-5-8-19(14-21)18(2)26/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)/p+2