(1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)ethanamine

Systemtic Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)ethanamine Openeye Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)ethanamine CAS Name: (1S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(2-methoxy-5-methylphenyl)ethanamine IUPAC Name: (1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methoxy-5-methylphenyl)ethanamine Traditional Name: [(1S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methoxy-5-methyl-phenyl)ethyl]amine Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-12-5-6-17(20-4)15(8-12)16(18)11-19-9-13(2)7-14(3)10-19/h5-6,8,13-14,16H,7,9-11,18H2,1-4H3/p+1/t13-,14-,16-/m1/s1