5-chloranyl-2-[3-(2-methylpyridin-1-ium-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[3-(2-methylpyridin-1-ium-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-[3-(2-methylpyridin-1-ium-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-[3-(2-methyl-1-pyridin-1-iumyl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-[3-(2-methylpyridin-1-ium-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-[3-(2-methylpyridin-1-ium-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CCCN2C(=O)C3CC=C(CC3C2=O)Cl

Isomeric SMILES

CC1=CC=CC=[N+]1CCCN2C(=O)C3CC=C(CC3C2=O)Cl

InChI

InChI=1S/C17H20ClN2O2/c1-12-5-2-3-8-19(12)9-4-10-20-16(21)14-7-6-13(18)11-15(14)17(20)22/h2-3,5-6,8,14-15H,4,7,9-11H2,1H3/q+1