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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-14(2)12-16-7-9-17(10-8-16)18(19)13-20-11-5-4-6-15(20)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3/p+1/t15-,18+/m0/s1