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

Systemtic Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]-2-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(4-nitrobenzyl)piperidin-1-ium-2-yl]-1,3-benzothiazole Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O2S/c23-22(24)15-10-8-14(9-11-15)13-21-12-4-3-6-17(21)19-20-16-5-1-2-7-18(16)25-19/h1-2,5,7-11,17H,3-4,6,12-13H2/p+1/t17-/m1/s1