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

Systemtic Name: (3R)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H29N3O4/c1-13(2)23-8-6-21-20(25)16(23)11-19(24)22-7-5-14-9-17(26-3)18(27-4)10-15(14)12-22/h9-10,13,16H,5-8,11-12H2,1-4H3,(H,21,25)/p+1/t16-/m1/s1