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

Systemtic Name: 3-[2-[(1-ethyl-1H-pyridin-1-ium-4-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(1-ethyl-1H-pyridin-1-ium-4-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(1-ethyl-1H-pyridin-1-ium-4-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(1-ethyl-1H-pyridin-1-ium-4-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(1-ethyl-1H-pyridin-1-ium-4-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C18H21N2O3S2+ MolecularWeight: 377.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=CC(=CC2=[N+](C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])C=C1

Isomeric SMILES

CC[NH+]1C=CC(=CC2=[N+](C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])C=C1

InChI

InChI=1S/C18H20N2O3S2/c1-2-19-11-8-15(9-12-19)14-18-20(10-5-13-25(21,22)23)16-6-3-4-7-17(16)24-18/h3-4,6-9,11-12,14H,2,5,10,13H2,1H3/p+1