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

Systemtic Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-nitro-benzohydrazide Openeye Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-nitro-benzohydrazide CAS Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-nitrobenzohydrazide IUPAC Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-nitrobenzohydrazide Traditional Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-2-nitro-benzohydrazide Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-18(2)11-12-7-3-4-8-13(12)16(19-18)20-21-17(23)14-9-5-6-10-15(14)22(24)25/h3-10H,11H2,1-2H3,(H,19,20)(H,21,23)/p+1