(1S)-1-(4-tert-butylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine

Systemtic Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine Openeye Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanamine IUPAC Name: (1S)-1-(4-tert-butylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(C2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-14-6-5-11-20(12-14)13-17(19)15-7-9-16(10-8-15)18(2,3)4/h7-10,14,17H,5-6,11-13,19H2,1-4H3/p+1/t14-,17+/m0/s1