(4-methyl-1,2-oxazol-3-yl)-[4-[(8-methylquinolin-1-ium-4-yl)amino]phenyl]sulfonyl-azanide

Systemtic Name: (4-methyl-1,2-oxazol-3-yl)-[4-[(8-methylquinolin-1-ium-4-yl)amino]phenyl]sulfonyl-azanide Openeye Name: (4-methylisoxazol-3-yl)-[4-[(8-methylquinolin-1-ium-4-yl)amino]phenyl]sulfonyl-azanide CAS Name: (4-methyl-3-isoxazolyl)-[4-[(8-methyl-4-quinolin-1-iumyl)amino]phenyl]sulfonylazanide IUPAC Name: (4-methyl-1,2-oxazol-3-yl)-[4-[(8-methylquinolin-1-ium-4-yl)amino]phenyl]sulfonylazanide Traditional Name: (4-methylisoxazol-3-yl)-[4-[(8-methylquinolin-1-ium-4-yl)amino]phenyl]sulfonyl-azanide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=C[NH+]=C12)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NOC=C4C

Isomeric SMILES

CC1=CC=CC2=C(C=C[NH+]=C12)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NOC=C4C

InChI

InChI=1S/C20H17N4O3S/c1-13-4-3-5-17-18(10-11-21-19(13)17)22-15-6-8-16(9-7-15)28(25,26)24-20-14(2)12-27-23-20/h3-12H,1-2H3,(H-,21,22,23,24)/q-1/p+1