N-[[5-bromanyl-1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]pyridine-4-carboxamide

Systemtic Name: N-[[5-bromanyl-1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[[5-bromo-1-(morpholin-4-ium-4-ylmethyl)-2-oxo-indolin-3-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[[5-bromo-1-(4-morpholin-4-iumylmethyl)-2-oxo-3-indolylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[[5-bromo-1-(morpholin-4-ium-4-ylmethyl)-2-oxoindol-3-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[[5-bromo-2-keto-1-(morpholin-4-ium-4-ylmethyl)indolin-3-ylidene]amino]isonicotinamide Formula: C19H19BrN5O3+ MolecularWeight: 445.28986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=NC=C4)C2=O

Isomeric SMILES

C1COCC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=NC=C4)C2=O

InChI

InChI=1S/C19H18BrN5O3/c20-14-1-2-16-15(11-14)17(22-23-18(26)13-3-5-21-6-4-13)19(27)25(16)12-24-7-9-28-10-8-24/h1-6,11H,7-10,12H2,(H,23,26)/p+1