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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-14-9-5-6-10-15(14)16(17)13-18-11-7-3-2-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13,17H2,1H3/p+1/t16-/m1/s1