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

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C19H40N2+2 MolecularWeight: 296.5343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CCC[NH+]2CCCCC2C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H38N2/c1-15(2)18-10-9-16(3)14-19(18)20-11-7-13-21-12-6-5-8-17(21)4/h15-20H,5-14H2,1-4H3/p+2/t16-,17-,18+,19-/m0/s1