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

Systemtic Name: 2-[5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-dimethyl-prop-2-ynyl-azanium Openeye Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dimethyl-prop-2-ynyl-ammonium CAS Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dimethyl-prop-2-ynylammonium IUPAC Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dimethyl-prop-2-ynylazanium Traditional Name: 2-(5-chloro-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-dimethyl-propargyl-ammonium Formula: C15H20ClN2O2+ MolecularWeight: 295.7845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN2O2/c1-4-8-18(2,3)9-7-17-14(19)12-6-5-11(16)10-13(12)15(17)20/h1,5,12-13H,6-10H2,2-3H3/q+1