1-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-prop-2-enylsulfanyl-benzimidazole

Systemtic Name: 1-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-prop-2-enylsulfanyl-benzimidazole Openeye Name: 2-allylsulfanyl-1-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-(prop-2-enylthio)benzimidazole IUPAC Name: 1-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-prop-2-enylsulfanylbenzimidazole Traditional Name: 2-(allylthio)-1-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole Formula: C25H27N4O2S2+ MolecularWeight: 479.63748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H26N4O2S2/c1-2-17-32-25-26-23-9-5-6-10-24(23)29(25)19-27-13-15-28(16-14-27)33(30,31)22-12-11-20-7-3-4-8-21(20)18-22/h2-12,18H,1,13-17,19H2/p+1