1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-4-ium-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-4-ium-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-4-ium-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-piperazin-4-iumyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-4-ium-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-4-m-anisyl-2-methyl-piperazin-4-ium-1-yl]-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H28N4O2S/c1-17-14-26(15-18-7-6-8-19(13-18)29-3)11-12-27(17)22(28)16-30-23-24-20-9-4-5-10-21(20)25(23)2/h4-10,13,17H,11-12,14-16H2,1-3H3/p+1/t17-/m0/s1