(1S,2R,5S)-5-methyl-1-piperazin-4-ium-1-yl-2-propan-2-yl-cyclohexane-1-carbonitrile

Systemtic Name: (1S,2R,5S)-5-methyl-1-piperazin-4-ium-1-yl-2-propan-2-yl-cyclohexane-1-carbonitrile Openeye Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile CAS Name: (1S,2R,5S)-5-methyl-1-(1-piperazin-4-iumyl)-2-propan-2-yl-1-cyclohexanecarbonitrile IUPAC Name: (1S,2R,5S)-5-methyl-1-piperazin-4-ium-1-yl-2-propan-2-ylcyclohexane-1-carbonitrile Traditional Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile Formula: C15H28N3+ MolecularWeight: 250.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(C#N)N2CC[NH2+]CC2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@](C1)(C#N)N2CC[NH2+]CC2)C(C)C

InChI

InChI=1S/C15H27N3/c1-12(2)14-5-4-13(3)10-15(14,11-16)18-8-6-17-7-9-18/h12-14,17H,4-10H2,1-3H3/p+1/t13-,14+,15+/m0/s1