methyl 2-[9-[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]ethanoate

Systemtic Name: methyl 2-[9-[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]ethanoate Openeye Name: methyl 2-[9-[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]acetate CAS Name: 2-[9-[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[9-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]acetate Traditional Name: 2-[9-[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-6-yl]acetic acid methyl ester Formula: C27H32NO8+ MolecularWeight: 498.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)C2=C3CC[N+](CC3=C(C4=C2OCO4)OC)(C)CC(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)C2=C3CC[N+](CC3=C(C4=C2OCO4)OC)(C)CC(=O)OC)OC

InChI

InChI=1S/C27H32NO8/c1-6-34-21-10-8-17(13-22(21)31-3)7-9-20(29)24-18-11-12-28(2,15-23(30)32-4)14-19(18)25(33-5)27-26(24)35-16-36-27/h7-10,13H,6,11-12,14-16H2,1-5H3/q+1/b9-7+