5-oxidanylpentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Systemtic Name: 5-oxidanylpentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate Openeye Name: 5-hydroxypentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate CAS Name: 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate Traditional Name: 3-(6,7-dimethoxy-2-methyl-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propionic acid 5-hydroxypentyl ester Formula: C29H42NO7+ MolecularWeight: 516.64628

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO

InChI

InChI=1S/C29H42NO7/c1-30(14-12-29(32)37-16-8-6-7-15-31)13-11-22-19-27(35-4)28(36-5)20-23(22)24(30)17-21-9-10-25(33-2)26(18-21)34-3/h9-10,18-20,24,31H,6-8,11-17H2,1-5H3/q+1