[4-tert-butyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]cyclohexyl]methylazanium

Systemtic Name: [4-tert-butyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]cyclohexyl]methylazanium Openeye Name: [4-tert-butyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]cyclohexyl]methylammonium CAS Name: [4-tert-butyl-1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]cyclohexyl]methylammonium IUPAC Name: [4-tert-butyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]cyclohexyl]methylazanium Traditional Name: [4-tert-butyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]cyclohexyl]methylammonium Formula: C18H38N2+2 MolecularWeight: 282.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2(CCC(CC2)C(C)(C)C)C[NH3+])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C2(CCC(CC2)C(C)(C)C)C[NH3+])C

InChI

InChI=1S/C18H36N2/c1-14-10-15(2)12-20(11-14)18(13-19)8-6-16(7-9-18)17(3,4)5/h14-16H,6-13,19H2,1-5H3/p+2/t14-,15-,16?,18?/m0/s1