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

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N4O2S/c23-22(24)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18-19-16-3-1-2-4-17(16)25-18/h1-8H,9-13H2/p+1