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

Systemtic Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-4-nitro-benzohydrazide Openeye Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-4-nitro-benzohydrazide CAS Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-4-nitrobenzohydrazide IUPAC Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-4-nitrobenzohydrazide Traditional Name: N'-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-4-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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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