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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H34N4O+2 MolecularWeight: 370.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C22H32N4O/c1-19-8-4-5-9-20(19)16-25-12-14-26(15-13-25)17-21(27)24(2)22(18-23)10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-17H2,1-2H3/p+2