9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one

Systemtic Name: 9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one Openeye Name: 9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one CAS Name: 9,9-dimethyl-4-(1-oxopropyl)-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one IUPAC Name: 9,9-dimethyl-4-propanoyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one Traditional Name: 9,9-dimethyl-4-propionyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-5-ium-7-one Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C2C(=CC=C1)NC3=C(C=[NH+]2)C(=O)CC(C3)(C)C

Isomeric SMILES

CCC(=O)C1=C2C(=CC=C1)NC3=C(C=[NH+]2)C(=O)CC(C3)(C)C

InChI

InChI=1S/C18H20N2O2/c1-4-15(21)11-6-5-7-13-17(11)19-10-12-14(20-13)8-18(2,3)9-16(12)22/h5-7,10,20H,4,8-9H2,1-3H3/p+1