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

Systemtic Name: 3-[4-(3-phenylsulfanylpropyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-(3-phenylsulfanylpropyl)piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(phenylthio)propyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-(3-phenylsulfanylpropyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(phenylthio)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C20H24N3S2+ MolecularWeight: 370.55466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCSC2=CC=CC=C2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCCSC2=CC=CC=C2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H23N3S2/c1-2-7-17(8-3-1)24-16-6-11-22-12-14-23(15-13-22)20-18-9-4-5-10-19(18)25-21-20/h1-5,7-10H,6,11-16H2/p+1