7-chloranyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carbonitrile

Systemtic Name: 7-chloranyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carbonitrile Openeye Name: 7-chloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxido-4-oxo-quinoxalin-4-ium-2-carbonitrile CAS Name: 7-chloro-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxido-4-oxo-2-quinoxalin-4-iumcarbonitrile IUPAC Name: 7-chloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile Traditional Name: 7-chloro-4-keto-3-[4-(2-methoxyphenyl)piperazino]-1-oxido-quinoxalin-4-ium-2-carbonitrile Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(N(C4=C([N+]3=O)C=CC(=C4)Cl)[O-])C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(N(C4=C([N+]3=O)C=CC(=C4)Cl)[O-])C#N

InChI

InChI=1S/C20H18ClN5O3/c1-29-19-5-3-2-4-16(19)23-8-10-24(11-9-23)20-18(13-22)25(27)17-12-14(21)6-7-15(17)26(20)28/h2-7,12H,8-11H2,1H3