3-[4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H22N2O3S2/c1-2-24-20-10-5-6-11-21(20)28-22(24)16-17-12-14-23(13-7-15-29(25,26)27)19-9-4-3-8-18(17)19/h3-6,8-12,14,16H,2,7,13,15H2,1H3