(1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine

Systemtic Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Openeye Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-isopropylphenyl)ethanamine CAS Name: (1S)-2-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(4-propan-2-ylphenyl)ethanamine IUPAC Name: (1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Traditional Name: [(1S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-p-cumenyl-ethyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(C2=CC=C(C=C2)C(C)C)N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-13(2)16-8-10-17(11-9-16)18(19)12-20-14(3)6-5-7-15(20)4/h8-11,13-15,18H,5-7,12,19H2,1-4H3/p+1/t14-,15+,18-/m1/s1