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

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-isobutylphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-[4-(2-methylpropyl)phenyl]ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-isobutylphenyl)ethyl]amine Formula: C19H33N2+ MolecularWeight: 289.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C19H32N2/c1-16(2)14-17-8-10-18(11-9-17)19(20)15-21-12-6-4-3-5-7-13-21/h8-11,16,19H,3-7,12-15,20H2,1-2H3/p+1/t19-/m1/s1