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

Systemtic Name: (1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Openeye Name: (1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-isopropylphenyl)ethanamine CAS Name: (1S)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(4-propan-2-ylphenyl)ethanamine IUPAC Name: (1S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Traditional Name: [(1S)-2-[(3S,5S)-3,5-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-13(2)16-5-7-17(8-6-16)18(19)12-20-10-14(3)9-15(4)11-20/h5-8,13-15,18H,9-12,19H2,1-4H3/p+1/t14-,15-,18+/m0/s1