(1S)-2-(azocan-1-ium-1-yl)-1-(4-methylphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-methylphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(p-tolyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(4-methylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-methylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(p-tolyl)ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-14-7-9-15(10-8-14)16(17)13-18-11-5-3-2-4-6-12-18/h7-10,16H,2-6,11-13,17H2,1H3/p+1/t16-/m1/s1