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

Systemtic Name: 7-chloranyl-4-oxidanidyl-5-phenyl-2-piperidin-1-yl-3H-1,4-benzodiazepin-4-ium Openeye Name: 7-chloro-4-oxido-5-phenyl-2-(1-piperidyl)-3H-1,4-benzodiazepin-4-ium CAS Name: 7-chloro-4-oxido-5-phenyl-2-(1-piperidinyl)-3H-1,4-benzodiazepin-4-ium IUPAC Name: 7-chloro-4-oxido-5-phenyl-2-piperidin-1-yl-3H-1,4-benzodiazepin-4-ium Traditional Name: 7-chloro-4-oxido-5-phenyl-2-piperidino-3H-1,4-benzodiazepin-4-ium Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O/c21-16-9-10-18-17(13-16)20(15-7-3-1-4-8-15)24(25)14-19(22-18)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14H2