N,N-dimethyl-1-[C-(3-nitrophenyl)-N-phenyl-carbonimidoyl]pyridin-1-ium-4-amine chloride

Systemtic Name: N,N-dimethyl-1-[C-(3-nitrophenyl)-N-phenyl-carbonimidoyl]pyridin-1-ium-4-amine chloride Openeye Name: N,N-dimethyl-1-[C-(3-nitrophenyl)-N-phenyl-carbonimidoyl]pyridin-1-ium-4-amine chloride CAS Name: N,N-dimethyl-1-[(3-nitrophenyl)-phenyliminomethyl]-4-pyridin-1-iumamine chloride IUPAC Name: N,N-dimethyl-1-[C-(3-nitrophenyl)-N-phenylcarbonimidoyl]pyridin-1-ium-4-amine chloride Traditional Name: dimethyl-[1-[C-(3-nitrophenyl)-N-phenyl-carbonimidoyl]pyridin-1-ium-4-yl]amine chloride Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H19N4O2.ClH/c1-22(2)18-11-13-23(14-12-18)20(21-17-8-4-3-5-9-17)16-7-6-10-19(15-16)24(25)26;/h3-15H,1-2H3;1H/q+1;/p-1