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

Systemtic Name: 3-[[(Z)-(1-methyl-3-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenyl-urea chloride Openeye Name: 3-[[(Z)-(1-methyl-3-oxo-pyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenyl-urea chloride CAS Name: 3-[[(Z)-(1-methyl-3-oxo-2-pyridin-1-iumylidene)methyl]amino]-1,1-diphenylurea chloride IUPAC Name: 3-[[(Z)-(1-methyl-3-oxopyridin-1-ium-2-ylidene)methyl]amino]-1,1-diphenylurea chloride Traditional Name: 3-[[(Z)-(3-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=CC(=O)C1=CNNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

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

InChI

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