2-[(2R)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(4-nitrobenzyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O2S/c22-21(23)14-9-7-13(8-10-14)12-20-11-3-5-16(20)18-19-15-4-1-2-6-17(15)24-18/h1-2,4,6-10,16H,3,5,11-12H2/p+1/t16-/m1/s1