N-[(E)-[2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-[2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]quinaldamide Formula: C23H22N5O2+ MolecularWeight: 400.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C3=CC=CC=C3C(=NNC(=O)C4=NC5=CC=CC=C5C=C4)C2=O

Isomeric SMILES

C1CC[NH+](C1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=NC5=CC=CC=C5C=C4)/C2=O

InChI

InChI=1S/C23H21N5O2/c29-22(19-12-11-16-7-1-3-9-18(16)24-19)26-25-21-17-8-2-4-10-20(17)28(23(21)30)15-27-13-5-6-14-27/h1-4,7-12H,5-6,13-15H2,(H,26,29)/p+1/b25-21+