(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propan-1-one Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C17H24N4O2S/c1-4-20-7-9-21(10-8-20)16(22)12(2)24-17-18-14-6-5-13(23-3)11-15(14)19-17/h5-6,11-12H,4,7-10H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1