1-(4-methylpentyl)-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride

Systemtic Name: 1-(4-methylpentyl)-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride Openeye Name: 3-anilino-1-isohexyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride CAS Name: 3-anilino-1-(4-methylpentyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione chloride IUPAC Name: 3-anilino-1-(4-methylpentyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione chloride Traditional Name: 3-anilino-1-isohexyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone chloride Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)NC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)NC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23N3O2.ClH/c1-16(2)10-9-15-24-20(25)18(22-17-11-5-3-6-12-17)19(21(24)26)23-13-7-4-8-14-23;/h3-8,11-14,16H,9-10,15H2,1-2H3;1H