[1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methylazanium

Systemtic Name: [1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methylazanium Openeye Name: [1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-(1,1-dimethylpropyl)cyclohexyl]methylammonium CAS Name: [1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-4-(2-methylbutan-2-yl)cyclohexyl]methylammonium IUPAC Name: [1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methylazanium Traditional Name: [4-tert-amyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]cyclohexyl]methylammonium Formula: C19H40N2+2 MolecularWeight: 296.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)(C[NH3+])[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)(C[NH3+])[NH+]2C[C@H](C[C@@H](C2)C)C

InChI

InChI=1S/C19H38N2/c1-6-18(4,5)17-7-9-19(14-20,10-8-17)21-12-15(2)11-16(3)13-21/h15-17H,6-14,20H2,1-5H3/p+2/t15-,16-,17?,19?/m0/s1