N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-methyl-acetamide Formula: C23H36N4O2+2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O2/c1-19-7-8-21(29-3)20(15-19)16-26-11-13-27(14-12-26)17-22(28)25(2)23(18-24)9-5-4-6-10-23/h7-8,15H,4-6,9-14,16-17H2,1-3H3/p+2