(2S)-2-(azepan-1-ium-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-p-anisyl-propionamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCCCCC2

InChI

InChI=1S/C17H26N2O2/c1-14(19-11-5-3-4-6-12-19)17(20)18-13-15-7-9-16(21-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)/p+1/t14-/m0/s1