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

Systemtic Name: 3-[4-[3-(3-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[3-(3-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(3-nitrophenoxy)propyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[3-(3-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(3-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O3S/c25-24(26)16-5-3-6-17(15-16)27-14-4-9-22-10-12-23(13-11-22)20-18-7-1-2-8-19(18)28-21-20/h1-3,5-8,15H,4,9-14H2/p+1