4-methyl-1-(4-methylpiperazin-4-ium-1-yl)cyclohexane-1-carbonitrile

Systemtic Name: 4-methyl-1-(4-methylpiperazin-4-ium-1-yl)cyclohexane-1-carbonitrile Openeye Name: 4-methyl-1-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarbonitrile CAS Name: 4-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-methyl-1-(4-methylpiperazin-4-ium-1-yl)cyclohexane-1-carbonitrile Traditional Name: 4-methyl-1-(4-methylpiperazin-4-ium-1-yl)cyclohexanecarbonitrile Formula: C13H24N3+ MolecularWeight: 222.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC1CCC(CC1)(C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H23N3/c1-12-3-5-13(11-14,6-4-12)16-9-7-15(2)8-10-16/h12H,3-10H2,1-2H3/p+1