1-[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[(4S)-2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]ethyl]piperidin-1-ium CAS Name: 1-[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)-4-oxanyl]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[(4S)-2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]ethyl]piperidin-1-ium Formula: C21H34NO+ MolecularWeight: 316.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCOC(C2)(C)C)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1[C@]2(CCOC(C2)(C)C)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H33NO/c1-18-9-5-6-10-19(18)21(12-16-23-20(2,3)17-21)11-15-22-13-7-4-8-14-22/h5-6,9-10H,4,7-8,11-17H2,1-3H3/p+1/t21-/m0/s1