3-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propionic acid Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC(=O)O)C)C=C2N(C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC(=O)O)C)C=C2N(C3=CC=CC=C3S2)C

InChI

InChI=1S/C19H20N2O2S/c1-13-10-15(11-14(2)21(13)9-8-19(22)23)12-18-20(3)16-6-4-5-7-17(16)24-18/h4-7,10-12H,8-9H2,1-3H3/p+1