4-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]cyclohexane-1-carbonitrile

Systemtic Name: 4-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]cyclohexane-1-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-methyl-cyclohexanecarbonitrile CAS Name: 4-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-methylcyclohexane-1-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-methyl-cyclohexanecarbonitrile Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1CCC(CC1)(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N3/c1-17-7-9-19(16-20,10-8-17)22-13-11-21(12-14-22)15-18-5-3-2-4-6-18/h2-6,17H,7-15H2,1H3/p+1