(3R)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCCC(C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC[C@H](C3)C(=O)N)OC

InChI

InChI=1S/C19H27N3O4/c1-25-16-8-13-5-7-22(11-15(13)9-17(16)26-2)18(23)12-21-6-3-4-14(10-21)19(20)24/h8-9,14H,3-7,10-12H2,1-2H3,(H2,20,24)/p+1/t14-/m1/s1