(1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2-methylpropyl)phenyl]ethanamine

Systemtic Name: (1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2-methylpropyl)phenyl]ethanamine Openeye Name: (1S)-1-(4-isobutylphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-[4-(2-methylpropyl)phenyl]ethanamine IUPAC Name: (1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2-methylpropyl)phenyl]ethanamine Traditional Name: [(1S)-1-(4-isobutylphenyl)-2-[(3R)-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)CC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-14(2)11-16-6-8-17(9-7-16)18(19)13-20-10-4-5-15(3)12-20/h6-9,14-15,18H,4-5,10-13,19H2,1-3H3/p+1/t15-,18-/m1/s1