N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-3,4,5-trimethoxy-benzohydrazide

Systemtic Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-3,4,5-trimethoxy-benzohydrazide Openeye Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-3,4,5-trimethoxy-benzohydrazide CAS Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-3,4,5-trimethoxybenzohydrazide IUPAC Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-3,4,5-trimethoxybenzohydrazide Traditional Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-3,4,5-trimethoxy-benzohydrazide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]1)NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]1)NNC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C21H25N3O4/c1-21(2)12-13-8-6-7-9-15(13)19(22-21)23-24-20(25)14-10-16(26-3)18(28-5)17(11-14)27-4/h6-11H,12H2,1-5H3,(H,22,23)(H,24,25)/p+1