4-azanyl-N'-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]quinolin-1-ium-3-carbohydrazide

Systemtic Name: 4-azanyl-N'-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]quinolin-1-ium-3-carbohydrazide Openeye Name: 4-amino-N'-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]quinolin-1-ium-3-carbohydrazide CAS Name: 4-amino-N'-[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-3-quinolin-1-iumcarbohydrazide IUPAC Name: 4-amino-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]quinolin-1-ium-3-carbohydrazide Traditional Name: 4-amino-N'-(3-phthalimidopropanoyl)quinolin-1-ium-3-carbohydrazide Formula: C21H18N5O4+ MolecularWeight: 404.39872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=C(C4=CC=CC=C4[NH+]=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=C(C4=CC=CC=C4[NH+]=C3)N

InChI

InChI=1S/C21H17N5O4/c22-18-14-7-3-4-8-16(14)23-11-15(18)19(28)25-24-17(27)9-10-26-20(29)12-5-1-2-6-13(12)21(26)30/h1-8,11H,9-10H2,(H2,22,23)(H,24,27)(H,25,28)/p+1