(1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methylphenyl)ethanamine

Systemtic Name: (1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methylphenyl)ethanamine Openeye Name: (1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(o-tolyl)ethanamine CAS Name: (1S)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(2-methylphenyl)ethanamine IUPAC Name: (1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(2-methylphenyl)ethanamine Traditional Name: [(1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(o-tolyl)ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(C2=CC=CC=C2C)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](C2=CC=CC=C2C)N)C

InChI

InChI=1S/C16H26N2/c1-12-8-13(2)10-18(9-12)11-16(17)15-7-5-4-6-14(15)3/h4-7,12-13,16H,8-11,17H2,1-3H3/p+1/t12-,13-,16+/m0/s1