1-butyl-3-[(E)-(2,3-dimethyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene)methyl]imino-urea

Systemtic Name: 1-butyl-3-[(E)-(2,3-dimethyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene)methyl]imino-urea Openeye Name: 1-butyl-3-[(E)-(4-hydroxy-2,3-dimethyl-1-oxido-quinoxalin-1-ium-6-ylidene)methyl]imino-urea CAS Name: 1-butyl-3-[(E)-(4-hydroxy-2,3-dimethyl-1-oxido-6-quinoxalin-1-iumylidene)methyl]iminourea IUPAC Name: 1-butyl-3-[(E)-(4-hydroxy-2,3-dimethyl-1-oxidoquinoxalin-1-ium-6-ylidene)methyl]iminourea Traditional Name: 1-butyl-3-[(E)-(4-hydroxy-2,3-dimethyl-1-oxido-quinoxalin-1-ium-6-ylidene)methyl]imino-urea Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N=NC=C1C=CC2=[N+](C(=C(N(C2=C1)O)C)C)[O-]

Isomeric SMILES

CCCCNC(=O)N=N/C=C/1\C=CC2=[N+](C(=C(N(C2=C1)O)C)C)[O-]

InChI

InChI=1S/C16H21N5O3/c1-4-5-8-17-16(22)19-18-10-13-6-7-14-15(9-13)21(24)12(3)11(2)20(14)23/h6-7,9-10,24H,4-5,8H2,1-3H3,(H,17,22)/b13-10+,19-18?