N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-phenyl-ethanamide

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-phenyl-ethanamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-2-phenyl-acetamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-2-phenylacetamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-2-phenylacetamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-2-phenyl-acetamide Formula: C23H26BrN4O2+ MolecularWeight: 470.38214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)/C(=N\NC(=O)CC4=CC=CC=C4)/C2=O

InChI

InChI=1S/C23H25BrN4O2/c24-18-10-11-20-19(15-18)22(26-25-21(29)14-17-8-4-3-5-9-17)23(30)28(20)16-27-12-6-1-2-7-13-27/h3-5,8-11,15H,1-2,6-7,12-14,16H2,(H,25,29)/p+1/b26-22+