(1S)-2-(azepan-1-ium-1-yl)-1-(3,4-dimethylphenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4-dimethylphenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4-dimethylphenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(3,4-dimethylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4-dimethylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(3,4-dimethylphenyl)ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C[NH+]2CCCCCC2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C[NH+]2CCCCCC2)N)C

InChI

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