N-ethyl-1-(1-methyl-4-methylsulfonyl-piperazin-2-yl)-1-pyrimidin-2-yl-benzimidazol-1-ium-2-amine

Systemtic Name: N-ethyl-1-(1-methyl-4-methylsulfonyl-piperazin-2-yl)-1-pyrimidin-2-yl-benzimidazol-1-ium-2-amine Openeye Name: N-ethyl-1-(1-methyl-4-methylsulfonyl-piperazin-2-yl)-1-pyrimidin-2-yl-benzimidazol-1-ium-2-amine CAS Name: N-ethyl-1-(1-methyl-4-methylsulfonyl-2-piperazinyl)-1-(2-pyrimidinyl)-2-benzimidazol-1-iumamine IUPAC Name: N-ethyl-1-(1-methyl-4-methylsulfonylpiperazin-2-yl)-1-pyrimidin-2-ylbenzimidazol-1-ium-2-amine Traditional Name: ethyl-[1-(4-mesyl-1-methyl-piperazin-2-yl)-1-(2-pyrimidyl)benzimidazol-1-ium-2-yl]amine Formula: C19H26N7O2S+ MolecularWeight: 416.52044

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=CC=CC=C2[N+]1(C3CN(CCN3C)S(=O)(=O)C)C4=NC=CC=N4

Isomeric SMILES

CCNC1=NC2=CC=CC=C2[N+]1(C3CN(CCN3C)S(=O)(=O)C)C4=NC=CC=N4

InChI

InChI=1S/C19H26N7O2S/c1-4-20-19-23-15-8-5-6-9-16(15)26(19,18-21-10-7-11-22-18)17-14-25(29(3,27)28)13-12-24(17)2/h5-11,17H,4,12-14H2,1-3H3,(H,20,23)/q+1