(3R)-1-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-1-ium-3-ol

Systemtic Name: (3R)-1-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-1-ium-3-ol Openeye Name: (3R)-1-[(2S)-2-(dimethylamino)-2-(m-tolyl)ethyl]piperidin-1-ium-3-ol CAS Name: (3R)-1-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-piperidin-1-iumol IUPAC Name: (3R)-1-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-1-ium-3-ol Traditional Name: (3R)-1-[(2S)-2-(dimethylamino)-2-(m-tolyl)ethyl]piperidin-1-ium-3-ol Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C[NH+]2CCCC(C2)O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C[NH+]2CCC[C@H](C2)O)N(C)C

InChI

InChI=1S/C16H26N2O/c1-13-6-4-7-14(10-13)16(17(2)3)12-18-9-5-8-15(19)11-18/h4,6-7,10,15-16,19H,5,8-9,11-12H2,1-3H3/p+1/t15-,16-/m1/s1