9-phenyl-5-propanoyl-6-pyridin-1-ium-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-phenyl-5-propanoyl-6-pyridin-1-ium-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-phenyl-5-propanoyl-6-pyridin-1-ium-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-(1-oxopropyl)-9-phenyl-6-(3-pyridin-1-iumyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-phenyl-5-propanoyl-6-pyridin-1-ium-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-phenyl-5-propionyl-6-pyridin-1-ium-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=C[NH+]=CC=C5

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=C[NH+]=CC=C5

InChI

InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-15,17,20,26-27,29H,2,16H2,1H3/p+1