2-[3-[(3-cyclohexylpropanoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-ethanamide bromide

Systemtic Name: 2-[3-[(3-cyclohexylpropanoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-ethanamide bromide Openeye Name: 2-[3-[(3-cyclohexylpropanoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide bromide CAS Name: 2-[3-[[(3-cyclohexyl-1-oxopropyl)hydrazo]-oxomethyl]-1-pyridin-1-iumyl]-N-phenylacetamide bromide IUPAC Name: 2-[3-[(3-cyclohexylpropanoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenylacetamide bromide Traditional Name: 2-[3-[(3-cyclohexylpropanoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenyl-acetamide bromide Formula: C23H29BrN4O3 MolecularWeight: 489.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CCC(CC1)CCC(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H28N4O3.BrH/c28-21(14-13-18-8-3-1-4-9-18)25-26-23(30)19-10-7-15-27(16-19)17-22(29)24-20-11-5-2-6-12-20;/h2,5-7,10-12,15-16,18H,1,3-4,8-9,13-14,17H2,(H2-,24,25,26,28,29,30);1H