(1S)-1-(4-tert-butylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamine

Systemtic Name: (1S)-1-(4-tert-butylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamine Openeye Name: (1S)-1-(4-tert-butylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-1-(4-tert-butylphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanamine IUPAC Name: (1S)-1-(4-tert-butylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamine Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]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)C)N

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-14-7-5-6-12-20(14)13-17(19)15-8-10-16(11-9-15)18(2,3)4/h8-11,14,17H,5-7,12-13,19H2,1-4H3/p+1/t14-,17+/m0/s1