2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CC2=CC=CC=C2NC3=CC=CC=C31.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCN1CC2=CC=CC=C2NC3=CC=CC=C31.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H21N3.C4H4O4/c1-19(2)11-12-20-13-14-7-3-4-8-15(14)18-16-9-5-6-10-17(16)20;5-3(6)1-2-4(7)8/h3-10,18H,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-