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

Systemtic Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propionic acid Formula: C17H17N2O2S+ MolecularWeight: 313.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C=C3)CCC(=O)O

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/C3=CC=[N+](C=C3)CCC(=O)O

InChI

InChI=1S/C17H16N2O2S/c1-18-14-4-2-3-5-15(14)22-16(18)12-13-6-9-19(10-7-13)11-8-17(20)21/h2-7,9-10,12H,8,11H2,1H3/p+1