4-azanyl-N'-(4-tert-butylphenyl)carbonyl-quinolin-1-ium-3-carbohydrazide

Systemtic Name: 4-azanyl-N'-(4-tert-butylphenyl)carbonyl-quinolin-1-ium-3-carbohydrazide Openeye Name: 4-amino-N'-(4-tert-butylbenzoyl)quinolin-1-ium-3-carbohydrazide CAS Name: 4-amino-N'-[(4-tert-butylphenyl)-oxomethyl]-3-quinolin-1-iumcarbohydrazide IUPAC Name: 4-amino-N'-(4-tert-butylbenzoyl)quinolin-1-ium-3-carbohydrazide Traditional Name: 4-amino-N'-(4-tert-butylbenzoyl)quinolin-1-ium-3-carbohydrazide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N

InChI

InChI=1S/C21H22N4O2/c1-21(2,3)14-10-8-13(9-11-14)19(26)24-25-20(27)16-12-23-17-7-5-4-6-15(17)18(16)22/h4-12H,1-3H3,(H2,22,23)(H,24,26)(H,25,27)/p+1