4-(8-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-11-ium-5-yl)benzoic acid

Systemtic Name: 4-(8-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-11-ium-5-yl)benzoic acid Openeye Name: 4-(8-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-11-ium-5-yl)benzoic acid CAS Name: 4-(8-tert-butyl-11-methyl-5-benzo[b][1,4]benzodiazepin-11-iumyl)benzoic acid IUPAC Name: 4-(8-tert-butyl-11-methylbenzo[b][1,4]benzodiazepin-11-ium-5-yl)benzoic acid Traditional Name: 4-(8-tert-butyl-11-methyl-benzo[b][1,4]benzodiazepin-11-ium-5-yl)benzoic acid Formula: C25H25N2O2+ MolecularWeight: 385.4782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CN(C3=CC=CC=C3[N+](=C2C=C1)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=CN(C3=CC=CC=C3[N+](=C2C=C1)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H24N2O2/c1-25(2,3)19-11-14-21-18(15-19)16-27(20-12-9-17(10-13-20)24(28)29)23-8-6-5-7-22(23)26(21)4/h5-16H,1-4H3/p+1