[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C18H38N2+2 MolecularWeight: 282.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CCC[NH+]2CCCCC2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CCC[NH+]2CCCCC2)C(C)C

InChI

InChI=1S/C18H36N2/c1-15(2)17-9-8-16(3)14-18(17)19-10-7-13-20-11-5-4-6-12-20/h15-19H,4-14H2,1-3H3/p+2/t16-,17+,18-/m0/s1