2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c1-22-18-10-6-5-9-17(18)21-20(22)26-15-19(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1