(2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium

Systemtic Name: (2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium Openeye Name: (2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperidin-1-ium CAS Name: (2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]piperidin-1-ium IUPAC Name: (2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium Traditional Name: (2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperidin-1-ium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC#CC2(CCCC(O2)(C)C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC#C[C@]2(CCCC(O2)(C)C)C

InChI

InChI=1S/C17H29NO/c1-15-9-5-6-13-18(15)14-8-12-17(4)11-7-10-16(2,3)19-17/h15H,5-7,9-11,13-14H2,1-4H3/p+1/t15-,17+/m0/s1