(1R,5S)-8-methyl-3-piperazin-4-ium-1-yl-8-azoniabicyclo[3.2.1]octane-3-carbonitrile

Systemtic Name: (1R,5S)-8-methyl-3-piperazin-4-ium-1-yl-8-azoniabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: (1R,5S)-8-methyl-3-piperazin-4-ium-1-yl-8-azoniabicyclo[3.2.1]octane-3-carbonitrile CAS Name: (1R,5S)-8-methyl-3-(1-piperazin-4-iumyl)-8-azoniabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: (1R,5S)-8-methyl-3-piperazin-4-ium-1-yl-8-azoniabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: (1R,5S)-8-methyl-3-piperazin-4-ium-1-yl-8-azoniabicyclo[3.2.1]octane-3-carbonitrile Formula: C13H24N4+2 MolecularWeight: 236.35646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)(C#N)N3CC[NH2+]CC3

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)(C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C13H22N4/c1-16-11-2-3-12(16)9-13(8-11,10-14)17-6-4-15-5-7-17/h11-12,15H,2-9H2,1H3/p+2/t11-,12+,13?