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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H30N4O+2 MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H28N4O/c1-17-5-4-6-18(13-17)14-23-9-11-24(12-10-23)15-19(25)22-20(16-21)7-2-3-8-20/h4-6,13H,2-3,7-12,14-15H2,1H3,(H,22,25)/p+2