1,3-benzothiazol-2-ylmethyl 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O3S/c22-18(24-12-16-20-14-5-1-2-6-15(14)25-16)13-4-3-7-19-17(13)21-8-10-23-11-9-21/h1-7H,8-12H2/p+1