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

Systemtic Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]propanoic acid IUPAC Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propionic acid Formula: C21H19N2O2S+ MolecularWeight: 363.45276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CCC(=O)O

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/C3=CC=[N+](C4=CC=CC=C34)CCC(=O)O

InChI

InChI=1S/C21H18N2O2S/c1-22-18-8-4-5-9-19(18)26-20(22)14-15-10-12-23(13-11-21(24)25)17-7-3-2-6-16(15)17/h2-10,12,14H,11,13H2,1H3/p+1