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

Systemtic Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C19H18N3S2+ MolecularWeight: 352.49632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3S2/c1-3-9-16-13(6-1)20-18(23-16)12-22-11-5-8-15(22)19-21-14-7-2-4-10-17(14)24-19/h1-4,6-7,9-10,15H,5,8,11-12H2/p+1/t15-/m1/s1