[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-(3-pyridylmethyl)ammonium CAS Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-(3-pyridylmethyl)ammonium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CC2=CN=CC=C2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CC2=CN=CC=C2)C(C)C

InChI

InChI=1S/C16H26N2/c1-12(2)15-7-6-13(3)9-16(15)18-11-14-5-4-8-17-10-14/h4-5,8,10,12-13,15-16,18H,6-7,9,11H2,1-3H3/p+1/t13-,15+,16-/m0/s1