9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-5-(1-oxopropyl)-6-(2-pyridin-1-iumyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-5-propanoyl-6-pyridin-1-ium-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-5-propionyl-6-pyridin-1-ium-2-yl-6,8,10,11-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(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CC=[NH+]4

InChI

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