1-methyl-4-[3-[(2S)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-[(2S)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-1-ium Openeye Name: 1-methyl-4-[3-[(2S)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-1-ium CAS Name: 1-methyl-4-[3-[(2S)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-[(2S)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-1-ium Traditional Name: 1-methyl-4-[3-[(2S)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-1-ium Formula: C16H29N2O+ MolecularWeight: 265.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(O1)(C)C#CCN2CC[NH+](CC2)C)C

Isomeric SMILES

C[C@]1(CCCC(O1)(C)C)C#CCN2CC[NH+](CC2)C

InChI

InChI=1S/C16H28N2O/c1-15(2)7-5-8-16(3,19-15)9-6-10-18-13-11-17(4)12-14-18/h5,7-8,10-14H2,1-4H3/p+1/t16-/m0/s1