3-methyl-1-pentyl-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrolidine-2,5-dione chloride

Systemtic Name: 3-methyl-1-pentyl-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrolidine-2,5-dione chloride Openeye Name: 3-anilino-3-methyl-1-pentyl-4-pyridin-1-ium-1-yl-pyrrolidine-2,5-dione chloride CAS Name: 3-anilino-3-methyl-1-pentyl-4-(1-pyridin-1-iumyl)pyrrolidine-2,5-dione chloride IUPAC Name: 3-anilino-3-methyl-1-pentyl-4-pyridin-1-ium-1-ylpyrrolidine-2,5-dione chloride Traditional Name: 1-amyl-3-anilino-3-methyl-4-pyridin-1-ium-1-yl-pyrrolidine-2,5-quinone chloride Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(C(C1=O)(C)NC2=CC=CC=C2)[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCN1C(=O)C(C(C1=O)(C)NC2=CC=CC=C2)[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H26N3O2.ClH/c1-3-4-9-16-24-19(25)18(23-14-10-6-11-15-23)21(2,20(24)26)22-17-12-7-5-8-13-17;/h5-8,10-15,18,22H,3-4,9,16H2,1-2H3;1H/q+1;/p-1