(1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine

Systemtic Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine Openeye Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine CAS Name: (1S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(4-methoxyphenyl)ethanamine IUPAC Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine Traditional Name: [(1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethyl]amine Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(C2=CC=C(C=C2)OC)N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)C[C@H](C2=CC=C(C=C2)OC)N)C

InChI

InChI=1S/C16H26N2O/c1-12-8-13(2)10-18(9-12)11-16(17)14-4-6-15(19-3)7-5-14/h4-7,12-13,16H,8-11,17H2,1-3H3/p+1/t12-,13-,16-/m1/s1