4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carbonyl chloride

Systemtic Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carbonyl chloride Openeye Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carbonyl chloride CAS Name: 4-cyano-1,1-bis(methylcarbamoyl)-3-indol-1-iumcarbonyl chloride IUPAC Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carbonyl chloride Traditional Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carbonyl chloride Formula: C14H12ClN4O3+ MolecularWeight: 319.72308

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[N+]1(C=C(C2=C(C=CC=C21)C#N)C(=O)Cl)C(=O)NC

Isomeric SMILES

CNC(=O)[N+]1(C=C(C2=C(C=CC=C21)C#N)C(=O)Cl)C(=O)NC

InChI

InChI=1S/C14H11ClN4O3/c1-17-13(21)19(14(22)18-2)7-9(12(15)20)11-8(6-16)4-3-5-10(11)19/h3-5,7H,1-2H3,(H-,17,18,21,22)/p+1