(2S)-N-(2-azanyl-4-chloranyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-chloranyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-amino-4-chloro-phenyl)-2-(azocan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-amino-4-chlorophenyl)-2-(1-azocan-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4-chlorophenyl)-2-(azocan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-amino-4-chloro-phenyl)-2-(azocan-1-ium-1-yl)propionamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)N)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)N)[NH+]2CCCCCCC2

InChI

InChI=1S/C16H24ClN3O/c1-12(20-9-5-3-2-4-6-10-20)16(21)19-15-8-7-13(17)11-14(15)18/h7-8,11-12H,2-6,9-10,18H2,1H3,(H,19,21)/p+1/t12-/m0/s1