2-(azepan-1-ium-1-yl)-N-[4-[phenyl(propan-2-yl)amino]phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-[phenyl(propan-2-yl)amino]phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(N-isopropylanilino)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(N-isopropylanilino)phenyl]acetamide Formula: C23H32N3O+ MolecularWeight: 366.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C23H31N3O/c1-19(2)26(21-10-6-5-7-11-21)22-14-12-20(13-15-22)24-23(27)18-25-16-8-3-4-9-17-25/h5-7,10-15,19H,3-4,8-9,16-18H2,1-2H3,(H,24,27)/p+1