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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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