3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-pyridin-1-iumyl]propanoate IUPAC Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propionate Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2S/c1-20-16-6-2-3-7-17(16)24-18(20)8-4-5-15-9-12-21(13-10-15)14-11-19(22)23/h2-10,12-13H,11,14H2,1H3