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

Systemtic Name: 9,9-dimethyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-(3-pyridin-1-iumyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-pyridin-1-ium-3-yl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=C[NH+]=CC=C4)C

Isomeric SMILES

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=C[NH+]=CC=C4)C

InChI

InChI=1S/C20H21N3O/c1-20(2)10-16-18(17(24)11-20)19(13-6-5-9-21-12-13)23-15-8-4-3-7-14(15)22-16/h3-10,12,18-19,22-23H,11H2,1-2H3/p+1