1-(4-methylsulfonylpiperazin-1-yl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-1-(4-mesylpiperazino)ethanone Formula: C17H26N5O4S+ MolecularWeight: 396.48444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=[N+](C2=CC=CC=C2N1)CC(=O)N3CCN(CC3)S(=O)(=O)C)O

Isomeric SMILES

C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC(=O)N3CCN(CC3)S(=O)(=O)C)O

InChI

InChI=1S/C17H25N5O4S/c1-13(23)11-18-17-19-14-5-3-4-6-15(14)22(17)12-16(24)20-7-9-21(10-8-20)27(2,25)26/h3-6,13,23H,7-12H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1