(1S,2S)-2-methyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile

Systemtic Name: (1S,2S)-2-methyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile Openeye Name: (1S,2S)-2-methyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile CAS Name: (1S,2S)-2-methyl-1-(1-piperazin-4-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: (1S,2S)-2-methyl-1-piperazin-4-ium-1-ylcyclohexane-1-carbonitrile Traditional Name: (1S,2S)-2-methyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile Formula: C12H22N3+ MolecularWeight: 208.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1(C#N)N2CC[NH2+]CC2

Isomeric SMILES

C[C@H]1CCCC[C@]1(C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C12H21N3/c1-11-4-2-3-5-12(11,10-13)15-8-6-14-7-9-15/h11,14H,2-9H2,1H3/p+1/t11-,12+/m0/s1