(9R)-9-phenyl-11-(piperidin-1-ium-1-ylmethyl)-9,10-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (9R)-9-phenyl-11-(piperidin-1-ium-1-ylmethyl)-9,10-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (9R)-9-phenyl-11-(piperidin-1-ium-1-ylmethyl)-9,10-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (9R)-9-phenyl-11-(1-piperidin-1-iumylmethyl)-9,10-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (9R)-9-phenyl-11-(piperidin-1-ium-1-ylmethyl)-9,10-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (9R)-9-phenyl-11-(piperidin-1-ium-1-ylmethyl)-9,10-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=NC4=CC=CC=C42)C(=O)CC(C3)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=NC4=CC=CC=C42)C(=O)C[C@@H](C3)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O/c29-25-16-20(19-9-3-1-4-10-19)15-24-21(25)17-26-22-11-5-6-12-23(22)28(24)18-27-13-7-2-8-14-27/h1,3-6,9-12,17,20H,2,7-8,13-16,18H2/p+1/t20-/m1/s1