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

Systemtic Name: 5-chloranyl-2-[2-(3-methylpyridin-1-ium-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-[2-(3-methylpyridin-1-ium-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-[2-(3-methyl-1-pyridin-1-iumyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-[2-(3-methylpyridin-1-ium-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-[2-(3-methylpyridin-1-ium-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H18ClN2O2+ MolecularWeight: 305.77932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CCN2C(=O)C3CC=C(CC3C2=O)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)CCN2C(=O)C3CC=C(CC3C2=O)Cl

InChI

InChI=1S/C16H18ClN2O2/c1-11-3-2-6-18(10-11)7-8-19-15(20)13-5-4-12(17)9-14(13)16(19)21/h2-4,6,10,13-14H,5,7-9H2,1H3/q+1