7-chloranyl-3-[3-(dimethylamino)propylamino]-1,4-bis(oxidanyl)quinoxaline-1,4-diium-2-carbonitrile

Systemtic Name: 7-chloranyl-3-[3-(dimethylamino)propylamino]-1,4-bis(oxidanyl)quinoxaline-1,4-diium-2-carbonitrile Openeye Name: 7-chloro-3-[3-(dimethylamino)propylamino]-1,4-dihydroxy-quinoxaline-1,4-diium-2-carbonitrile CAS Name: 7-chloro-3-[3-(dimethylamino)propylamino]-1,4-dihydroxy-2-quinoxaline-1,4-diiumcarbonitrile IUPAC Name: 7-chloro-3-[3-(dimethylamino)propylamino]-1,4-dihydroxyquinoxaline-1,4-diium-2-carbonitrile Traditional Name: 7-chloro-3-[3-(dimethylamino)propylamino]-1,4-dihydroxy-quinoxaline-1,4-diium-2-carbonitrile Formula: C14H18ClN5O2+2 MolecularWeight: 323.77802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C([N+](=C2C=C(C=CC2=[N+]1O)Cl)O)C#N

Isomeric SMILES

CN(C)CCCNC1=C([N+](=C2C=C(C=CC2=[N+]1O)Cl)O)C#N

InChI

InChI=1S/C14H17ClN5O2/c1-18(2)7-3-6-17-14-13(9-16)19(21)12-8-10(15)4-5-11(12)20(14)22/h4-5,8,22H,3,6-7H2,1-2H3,(H,17,21)/q+1/p+1