3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloranyl-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloranyl-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloro-1-oxido-4-oxo-quinoxalin-4-ium-2-carbonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-chloro-1-oxido-4-oxo-2-quinoxalin-4-iumcarbonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloro-1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile Traditional Name: 7-chloro-4-keto-1-oxido-3-(4-piperonylpiperazino)quinoxalin-4-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(C5=C([N+]4=O)C=CC(=C5)Cl)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(N(C5=C([N+]4=O)C=CC(=C5)Cl)[O-])C#N

InChI

InChI=1S/C21H18ClN5O4/c22-15-2-3-16-17(10-15)26(28)18(11-23)21(27(16)29)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