[2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[[(4S)-2,2-dimethyloxan-4-yl]methyl]azanium

Systemtic Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[[(4S)-2,2-dimethyloxan-4-yl]methyl]azanium Openeye Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[[(4S)-2,2-dimethyltetrahydropyran-4-yl]methyl]ammonium CAS Name: [2-(dimethylamino)-3-pyridin-1-iumyl]methyl-[[(4S)-2,2-dimethyl-4-oxanyl]methyl]ammonium IUPAC Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[[(4S)-2,2-dimethyloxan-4-yl]methyl]azanium Traditional Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[[(4S)-2,2-dimethyltetrahydropyran-4-yl]methyl]ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C[NH2+]CC2=C([NH+]=CC=C2)N(C)C)C

Isomeric SMILES

CC1(C[C@H](CCO1)C[NH2+]CC2=C([NH+]=CC=C2)N(C)C)C

InChI

InChI=1S/C16H27N3O/c1-16(2)10-13(7-9-20-16)11-17-12-14-6-5-8-18-15(14)19(3)4/h5-6,8,13,17H,7,9-12H2,1-4H3/p+2/t13-/m0/s1