methyl 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H19N2O2S+ MolecularWeight: 291.38856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H18N2O2S/c1-19-15(18)11-6-8-17(9-7-11)10-14-16-12-4-2-3-5-13(12)20-14/h2-5,11H,6-10H2,1H3/p+1