phenyl-[4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: phenyl-[4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(2-allylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: phenyl-[4-[[2-(prop-2-enylthio)-1-benzimidazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[[2-(allylthio)benzimidazol-1-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-2-16-28-22-23-19-10-6-7-11-20(19)26(22)17-24-12-14-25(15-13-24)21(27)18-8-4-3-5-9-18/h2-11H,1,12-17H2/p+1