3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)OC

InChI

InChI=1S/C21H24N4O4/c1-28-18-9-13-5-7-25(12-14(13)10-19(18)29-2)8-6-20(26)22-15-3-4-16-17(11-15)24-21(27)23-16/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,26)(H2,23,24,27)/p+1