3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-4-oxido-1-oxo-quinoxalin-1-ium-2-carbonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-4-oxido-1-oxo-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile Traditional Name: 6-chloro-1-keto-4-oxido-3-(4-piperonylpiperazino)quinoxalin-1-ium-2-carbonitrile Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C([N+](=O)C5=C(N4[O-])C=C(C=C5)Cl)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C([N+](=O)C5=C(N4[O-])C=C(C=C5)Cl)C#N

InChI

InChI=1S/C21H18ClN5O4/c22-15-2-3-16-17(10-15)27(29)21(18(11-23)26(16)28)25-7-5-24(6-8-25)12-14-1-4-19-20(9-14)31-13-30-19/h1-4,9-10H,5-8,12-13H2