2-[5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-hexyl-dimethyl-azanium

Systemtic Name: 2-[5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-hexyl-dimethyl-azanium Openeye Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-hexyl-dimethyl-ammonium CAS Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-hexyl-dimethylammonium IUPAC Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-hexyl-dimethylazanium Traditional Name: 2-(5-chloro-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-hexyl-dimethyl-ammonium Formula: C18H30ClN2O2+ MolecularWeight: 341.896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C)CCN1C(=O)C2CC=C(CC2C1=O)Cl

Isomeric SMILES

CCCCCC[N+](C)(C)CCN1C(=O)C2CC=C(CC2C1=O)Cl

InChI

InChI=1S/C18H30ClN2O2/c1-4-5-6-7-11-21(2,3)12-10-20-17(22)15-9-8-14(19)13-16(15)18(20)23/h8,15-16H,4-7,9-13H2,1-3H3/q+1