1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-methyl-hept-5-en-2-one

Systemtic Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-methyl-hept-5-en-2-one Openeye Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-methyl-hept-5-en-2-one CAS Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-methyl-5-hepten-2-one IUPAC Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-methylhept-5-en-2-one Traditional Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl)-6-methyl-hept-5-en-2-one Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=O)CC1C2=C(C3=C(C=C2CC[N+]1(C)C)OCO3)OC)C

Isomeric SMILES

CC(=CCCC(=O)CC1C2=C(C3=C(C=C2CC[N+]1(C)C)OCO3)OC)C

InChI

InChI=1S/C21H30NO4/c1-14(2)7-6-8-16(23)12-17-19-15(9-10-22(17,3)4)11-18-20(21(19)24-5)26-13-25-18/h7,11,17H,6,8-10,12-13H2,1-5H3/q+1