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

Systemtic Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]propanoate IUPAC Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propionate Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S/c1-24-20-10-4-5-11-21(20)28-22(24)12-6-7-17-13-15-25(16-14-23(26)27)19-9-3-2-8-18(17)19/h2-13,15H,14,16H2,1H3