2-[(2R)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(1-benzotriazolylmethyl)-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C18H18N5S+ MolecularWeight: 336.43402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3N=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H17N5S/c1-3-8-15-13(6-1)20-21-23(15)12-22-11-5-9-16(22)18-19-14-7-2-4-10-17(14)24-18/h1-4,6-8,10,16H,5,9,11-12H2/p+1/t16-/m1/s1