(5E)-1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6,10-dimethyl-undeca-5,9-dien-2-one

Systemtic Name: (5E)-1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6,10-dimethyl-undeca-5,9-dien-2-one Openeye Name: (5E)-1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6,10-dimethyl-undeca-5,9-dien-2-one CAS Name: (5E)-1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6,10-dimethyl-2-undeca-5,9-dienone IUPAC Name: (5E)-1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6,10-dimethylundeca-5,9-dien-2-one Traditional Name: (5E)-1-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]-6,10-dimethyl-undeca-5,9-dien-2-one Formula: C25H36NO4+ MolecularWeight: 414.55764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CCC/C(=C/CCC(=O)C[C@H]1C2=C(C3=C(C=C2CC[NH+]1C)OCO3)OC)/C)C

InChI

InChI=1S/C25H35NO4/c1-17(2)8-6-9-18(3)10-7-11-20(27)15-21-23-19(12-13-26(21)4)14-22-24(25(23)28-5)30-16-29-22/h8,10,14,21H,6-7,9,11-13,15-16H2,1-5H3/p+1/b18-10+/t21-/m0/s1