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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C2=CC=C(C=C2)CC(C)C)N

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C2=CC=C(C=C2)CC(C)C)N

InChI

InChI=1S/C18H30N2/c1-14(2)12-16-4-6-17(7-5-16)18(19)13-20-10-8-15(3)9-11-20/h4-7,14-15,18H,8-13,19H2,1-3H3/p+1/t18-/m1/s1