methyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H19N2O2S2+ MolecularWeight: 323.45356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C15H18N2O2S2/c1-19-14(18)11-6-8-16(9-7-11)10-17-12-4-2-3-5-13(12)21-15(17)20/h2-5,11H,6-10H2,1H3/p+1