2-butoxy-7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium

Systemtic Name: 2-butoxy-7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium Openeye Name: 2-butoxy-7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium CAS Name: 2-butoxy-7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium IUPAC Name: 2-butoxy-7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium Traditional Name: 2-butoxy-7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium Formula: C19H19ClN2O2 MolecularWeight: 342.81936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O2/c1-2-3-11-24-18-13-22(23)19(14-7-5-4-6-8-14)16-12-15(20)9-10-17(16)21-18/h4-10,12H,2-3,11,13H2,1H3