3-[4-[2-(3-nitrophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[2-(3-nitrophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(3-nitrophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(3-nitrophenoxy)ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(3-nitrophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(3-nitrophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC(=C2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC(=C2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H20N4O3S/c24-23(25)15-4-3-5-16(14-15)26-13-12-21-8-10-22(11-9-21)19-17-6-1-2-7-18(17)27-20-19/h1-7,14H,8-13H2/p+1