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

Systemtic Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamine Openeye Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethanamine IUPAC Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamine Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]amine Formula: C19H33N2+ MolecularWeight: 289.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H32N2/c1-14-10-15(2)12-21(11-14)13-18(20)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18H,10-13,20H2,1-5H3/p+1/t14-,15-,18+/m0/s1