9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-5-(1-oxopropyl)-6-(3-pyridin-1-iumyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-5-propionyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-4-20(28)26-18-10-6-5-9-16(18)25-17-12-23(2,3)13-19(27)21(17)22(26)15-8-7-11-24-14-15/h5-12,14,21-22,25H,4,13H2,1-3H3/p+1