3-[[(Z)-(1-methyl-5-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenyl-urea chloride

Systemtic Name: 3-[[(Z)-(1-methyl-5-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenyl-urea chloride Openeye Name: 3-[[(Z)-(1-methyl-5-oxo-pyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenyl-urea chloride CAS Name: 3-[[(Z)-(1-methyl-5-oxo-2-pyridin-1-iumylidene)methyl]amino]-1,1-diphenylurea chloride IUPAC Name: 3-[[(Z)-(1-methyl-5-oxopyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenylurea chloride Traditional Name: 3-[[(Z)-(5-keto-1-methyl-pyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenyl-urea chloride Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=O)C=CC1=CNNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[N+]\1=CC(=O)C=C/C1=C/NNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H18N4O2.ClH/c1-23-15-19(25)13-12-18(23)14-21-22-20(26)24(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-15,25H,1H3;1H/b18-14-;