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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3S2/c1-3-9-17-15(7-1)21-19(24-17)13-23-11-5-6-14(12-23)20-22-16-8-2-4-10-18(16)25-20/h1-4,7-10,14H,5-6,11-13H2/p+1/t14-/m1/s1