3-[(2S)-azepan-1-ium-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 3-[(2S)-azepan-1-ium-2-yl]-N,N-dimethyl-aniline Openeye Name: 3-[(2S)-azepan-1-ium-2-yl]-N,N-dimethyl-aniline CAS Name: 3-[(2S)-2-azepan-1-iumyl]-N,N-dimethylaniline IUPAC Name: 3-[(2S)-azepan-1-ium-2-yl]-N,N-dimethylaniline Traditional Name: [3-[(2S)-azepan-1-ium-2-yl]phenyl]-dimethyl-amine Formula: C14H23N2+ MolecularWeight: 219.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2CCCCC[NH2+]2

Isomeric SMILES

CN(C)C1=CC=CC(=C1)[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C14H22N2/c1-16(2)13-8-6-7-12(11-13)14-9-4-3-5-10-15-14/h6-8,11,14-15H,3-5,9-10H2,1-2H3/p+1/t14-/m0/s1