1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCCC3C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC[C@H]3C4=CC=CS4)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-18-11-15-7-9-23(13-16(15)12-19(18)26-2)21(24)14-22-8-3-5-17(22)20-6-4-10-27-20/h4,6,10-12,17H,3,5,7-9,13-14H2,1-2H3/p+1/t17-/m0/s1