N-[(Z)-(3-butyl-4-oxidanyl-2-oxidanylidene-naphthalen-1-ylidene)amino]-2-pyridin-1-ium-1-yl-ethanamide chloride

Systemtic Name: N-[(Z)-(3-butyl-4-oxidanyl-2-oxidanylidene-naphthalen-1-ylidene)amino]-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-[(Z)-(3-butyl-4-hydroxy-2-oxo-1-naphthylidene)amino]-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-[(Z)-(3-butyl-4-hydroxy-2-oxo-1-naphthalenylidene)amino]-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-[(Z)-(3-butyl-4-hydroxy-2-oxonaphthalen-1-ylidene)amino]-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-[(Z)-(3-butyl-4-hydroxy-2-keto-1-naphthylidene)amino]-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C(=NNC(=O)C[N+]3=CC=CC=C3)C1=O)O.[Cl-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2/C(=N/NC(=O)C[N+]3=CC=CC=C3)/C1=O)O.[Cl-]

InChI

InChI=1S/C21H21N3O3.ClH/c1-2-3-9-17-20(26)16-11-6-5-10-15(16)19(21(17)27)23-22-18(25)14-24-12-7-4-8-13-24;/h4-8,10-13H,2-3,9,14H2,1H3,(H-,22,25,26,27);1H