4-[(5E)-1-methyl-8-oxidanylidene-5-(phenylhydrazinylidene)-3,4-dihydro-2H-quinolin-1-ium-1-yl]butane-2-sulfonic acid

Systemtic Name: 4-[(5E)-1-methyl-8-oxidanylidene-5-(phenylhydrazinylidene)-3,4-dihydro-2H-quinolin-1-ium-1-yl]butane-2-sulfonic acid Openeye Name: 4-[(5E)-1-methyl-8-oxo-5-(phenylhydrazono)-3,4-dihydro-2H-quinolin-1-ium-1-yl]butane-2-sulfonic acid CAS Name: 4-[(5E)-1-methyl-8-oxo-5-(phenylhydrazinylidene)-3,4-dihydro-2H-quinolin-1-ium-1-yl]-2-butanesulfonic acid IUPAC Name: 4-[(5E)-1-methyl-8-oxo-5-(phenylhydrazinylidene)-3,4-dihydro-2H-quinolin-1-ium-1-yl]butane-2-sulfonic acid Traditional Name: 4-[(5E)-8-keto-1-methyl-5-(phenylhydrazono)-3,4-dihydro-2H-quinolin-1-ium-1-yl]butane-2-sulfonic acid Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1(CCCC2=C1C(=O)C=CC2=NNC3=CC=CC=C3)C)S(=O)(=O)O

Isomeric SMILES

CC(CC[N+]1(CCCC\2=C1C(=O)C=C/C2=N\NC3=CC=CC=C3)C)S(=O)(=O)O

InChI

InChI=1S/C20H25N3O4S/c1-15(28(25,26)27)12-14-23(2)13-6-9-17-18(10-11-19(24)20(17)23)22-21-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H-,21,24,25,26,27)/p+1