2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-2-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-2-yl]-1,3-benzothiazole Formula: C20H20N3S2+ MolecularWeight: 366.5229

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3S2/c1-3-10-17-14(7-1)21-19(24-17)13-23-12-6-5-9-16(23)20-22-15-8-2-4-11-18(15)25-20/h1-4,7-8,10-11,16H,5-6,9,12-13H2/p+1/t16-/m1/s1