N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxido-2-pyridin-1-iumyl)benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N)[O-]

InChI

InChI=1S/C23H18N4O2/c24-14-19-15-26-21-9-4-16(13-20(19)21)10-11-25-23(28)18-7-5-17(6-8-18)22-3-1-2-12-27(22)29/h1-9,12-13,15,26H,10-11H2,(H,25,28)