4-[(6-methanoyl-2,2,4,4-tetramethyl-3H-quinolin-1-ium-1-ylidene)amino]benzoic acid

Systemtic Name: 4-[(6-methanoyl-2,2,4,4-tetramethyl-3H-quinolin-1-ium-1-ylidene)amino]benzoic acid Openeye Name: 4-[(6-formyl-2,2,4,4-tetramethyl-3H-quinolin-1-ium-1-ylidene)amino]benzoic acid CAS Name: 4-[(6-formyl-2,2,4,4-tetramethyl-3H-quinolin-1-ium-1-ylidene)amino]benzoic acid IUPAC Name: 4-[(6-formyl-2,2,4,4-tetramethyl-3H-quinolin-1-ium-1-ylidene)amino]benzoic acid Traditional Name: 4-[(6-formyl-2,2,4,4-tetramethyl-3H-quinolin-1-ium-1-ylidene)amino]benzoic acid Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC([N+](=NC2=CC=C(C=C2)C(=O)O)C3=C1C=C(C=C3)C=O)(C)C)C

Isomeric SMILES

CC1(CC([N+](=NC2=CC=C(C=C2)C(=O)O)C3=C1C=C(C=C3)C=O)(C)C)C

InChI

InChI=1S/C21H22N2O3/c1-20(2)13-21(3,4)23(18-10-5-14(12-24)11-17(18)20)22-16-8-6-15(7-9-16)19(25)26/h5-12H,13H2,1-4H3/p+1