6,7-dimethoxy-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 2-[(2S)-2-(benzyloxymethyl)pyrrolidin-1-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-2-[(2S)-2-(phenylmethoxymethyl)-1-pyrrolidinyl]-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 2-[(2S)-2-(benzoxymethyl)pyrrolidino]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](CCC2=C1)N3CCCC3COCC4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C=[N+](CCC2=C1)N3CCC[C@H]3COCC4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C23H29N2O3.ClH/c1-26-22-13-19-10-12-24(15-20(19)14-23(22)27-2)25-11-6-9-21(25)17-28-16-18-7-4-3-5-8-18;/h3-5,7-8,13-15,21H,6,9-12,16-17H2,1-2H3;1H/q+1;/p-1/t21-;/m0./s1