2-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-dodecyl-dimethyl-azanium

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-dodecyl-dimethyl-azanium Openeye Name: 2-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dodecyl-dimethyl-ammonium CAS Name: 2-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dodecyl-dimethylammonium IUPAC Name: 2-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dodecyl-dimethylazanium Traditional Name: 2-(1,3-diketo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-lauryl-dimethyl-ammonium Formula: C36H51N2O2+ MolecularWeight: 543.80234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C36H51N2O2/c1-4-5-6-7-8-9-10-11-12-19-27-38(2,3)28-26-37-35(39)33-31(29-20-15-13-16-21-29)24-25-32(34(33)36(37)40)30-22-17-14-18-23-30/h13-18,20-25,31-34H,4-12,19,26-28H2,1-3H3/q+1