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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-butyl-dimethyl-azanium Openeye Name: butyl-[2-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-dimethyl-ammonium CAS Name: butyl-[2-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-dimethylammonium IUPAC Name: butyl-[2-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-dimethylazanium Traditional Name: butyl-[2-(1,3-diketo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-dimethyl-ammonium Formula: C28H35N2O2+ MolecularWeight: 431.5897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N2O2/c1-4-5-19-30(2,3)20-18-29-27(31)25-23(21-12-8-6-9-13-21)16-17-24(26(25)28(29)32)22-14-10-7-11-15-22/h6-17,23-26H,4-5,18-20H2,1-3H3/q+1