2-[4-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C21H27N6O2S+ MolecularWeight: 427.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6O2S/c1-2-30(28,29)21-24-15-19(27(21)16-18-7-4-3-5-8-18)17-25-11-13-26(14-12-25)20-22-9-6-10-23-20/h3-10,15H,2,11-14,16-17H2,1H3/p+1