8-chloranyl-2,6-dimethyl-5-oxidanidyl-1-propyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 8-chloranyl-2,6-dimethyl-5-oxidanidyl-1-propyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-chloro-2,6-dimethyl-5-oxido-1-propyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-chloro-2,6-dimethyl-5-oxido-1-propyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-chloro-2,6-dimethyl-5-oxido-1-propyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-chloro-2,6-dimethyl-5-oxido-1-propyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C16H18ClN3O MolecularWeight: 303.78662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C2N1C3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C)C

Isomeric SMILES

CCCC1=C(N=C2N1C3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C)C

InChI

InChI=1S/C16H18ClN3O/c1-4-5-14-10(2)18-16-9-19(21)11(3)13-8-12(17)6-7-15(13)20(14)16/h6-8H,4-5,9H2,1-3H3