[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]-(furan-2-yl)methanol

Systemtic Name: [(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]-(furan-2-yl)methanol Openeye Name: [(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]-(2-furyl)methanol CAS Name: [(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]-(2-furanyl)methanol IUPAC Name: [(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]-(furan-2-yl)methanol Traditional Name: [(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]-(2-furyl)methanol Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)C(C4=CC=CO4)O

Isomeric SMILES

CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)C(C4=CC=CO4)O

InChI

InChI=1S/C21H18ClN3O3/c1-24(21(26)18-8-5-11-28-18)19-13-25(27)20(14-6-3-2-4-7-14)16-12-15(22)9-10-17(16)23-19/h2-12,21,26H,13H2,1H3