4-[(E)-but-2-enyl]-6-chloranyl-3-methyl-4-oxidanidyl-2,3-dihydro-1H-quinoxalin-4-ium

Systemtic Name: 4-[(E)-but-2-enyl]-6-chloranyl-3-methyl-4-oxidanidyl-2,3-dihydro-1H-quinoxalin-4-ium Openeye Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-4-oxido-2,3-dihydro-1H-quinoxalin-4-ium CAS Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-4-oxido-2,3-dihydro-1H-quinoxalin-4-ium IUPAC Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-4-oxido-2,3-dihydro-1H-quinoxalin-4-ium Traditional Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-4-oxido-2,3-dihydro-1H-quinoxalin-4-ium Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC[N+]1(C(CNC2=C1C=C(C=C2)Cl)C)[O-]

Isomeric SMILES

C/C=C/C[N+]1(C(CNC2=C1C=C(C=C2)Cl)C)[O-]

InChI

InChI=1S/C13H17ClN2O/c1-3-4-7-16(17)10(2)9-15-12-6-5-11(14)8-13(12)16/h3-6,8,10,15H,7,9H2,1-2H3/b4-3+