(2R)-2-[3-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[3-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-3-methyl-butanoic acid Openeye Name: (2R)-2-[3-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-3-methyl-butanoic acid CAS Name: (2R)-2-[3-(4-ethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]-3-methylbutanoic acid IUPAC Name: (2R)-2-[3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]-3-methylbutanoic acid Traditional Name: (2R)-2-(6,7-dimethoxy-3-p-phenetyl-isoquinolin-2-ium-2-yl)-3-methyl-butyric acid Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2C(C(C)C)C(=O)O)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2[C@H](C(C)C)C(=O)O)OC)OC

InChI

InChI=1S/C24H27NO5/c1-6-30-19-9-7-16(8-10-19)20-11-17-12-21(28-4)22(29-5)13-18(17)14-25(20)23(15(2)3)24(26)27/h7-15,23H,6H2,1-5H3/p+1/t23-/m1/s1