(2S)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCCC3C(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC[C@H]3C(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C24H29N3O4/c1-30-21-13-17-10-12-27(15-18(17)14-22(21)31-2)23(28)16-26-11-6-9-20(26)24(29)25-19-7-4-3-5-8-19/h3-5,7-8,13-14,20H,6,9-12,15-16H2,1-2H3,(H,25,29)/p+1/t20-/m0/s1