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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(3-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=C1)C[NH+]2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C22H32N4O/c1-19-7-6-8-20(15-19)16-25-11-13-26(14-12-25)17-21(27)24(2)22(18-23)9-4-3-5-10-22/h6-8,15H,3-5,9-14,16-17H2,1-2H3/p+2