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methyl 1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-carboxylate

methyl 1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-carboxylate

Systemtic Name:methyl 1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-carboxylate
Openeye Name:methyl 1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-carboxylate
CAS Name:1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-6-quinolin-1-iumcarboxylic acid methyl ester
IUPAC Name:methyl 1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-carboxylate
Traditional Name:1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-carboxylic acid methyl ester
Formula: C23H23N2O2S+
MolecularWeight: 391.50592
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=C4C=C(C=CC4=[N+](C=C3)CC)C(=O)OC


Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=C4C=C(C=CC4=[N+](C=C3)CC)C(=O)OC


InChI

InChI=1S/C23H23N2O2S/c1-4-24-13-12-16(18-14-17(23(26)27-3)10-11-19(18)24)15-22-25(5-2)20-8-6-7-9-21(20)28-22/h6-15H,4-5H2,1-3H3/q+1


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