(3R)-1-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(6-ethoxy-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(6-ethoxy-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C16H22N3O2S2+ MolecularWeight: 352.49478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=S)S2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=S)S2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C16H21N3O2S2/c1-2-21-12-5-6-13-14(8-12)23-16(22)19(13)10-18-7-3-4-11(9-18)15(17)20/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,17,20)/p+1/t11-/m1/s1