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

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]quinaldamide Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=NC5=CC=CC=C5C=C4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=NC5=CC=CC=C5C=C4)/C2=O

InChI

InChI=1S/C25H25N5O2/c31-24(21-14-13-18-9-3-5-11-20(18)26-21)28-27-23-19-10-4-6-12-22(19)30(25(23)32)17-29-15-7-1-2-8-16-29/h3-6,9-14H,1-2,7-8,15-17H2,(H,28,31)/p+1/b27-23+