(1S)-2-(azepan-1-ium-1-yl)-1-(4-propylphenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-propylphenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-propylphenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-propylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-propylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(4-propylphenyl)ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C[NH+]2CCCCCC2)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCC2)N

InChI

InChI=1S/C17H28N2/c1-2-7-15-8-10-16(11-9-15)17(18)14-19-12-5-3-4-6-13-19/h8-11,17H,2-7,12-14,18H2,1H3/p+1/t17-/m1/s1