3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-8-methyl-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-8-methylquinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-8-methyl-quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C23H25N2O3S2+ MolecularWeight: 441.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=C(C=CC=C4C)C=C3)CCCS(=O)(=O)O

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=C(C=CC=C4C)C=C3)CCCS(=O)(=O)O

InChI

InChI=1S/C23H24N2O3S2/c1-3-24-20-10-4-5-11-21(20)29-22(24)16-19-13-12-18-9-6-8-17(2)23(18)25(19)14-7-15-30(26,27)28/h4-6,8-13,16H,3,7,14-15H2,1-2H3/p+1