2-[4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine

Systemtic Name: 2-[4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Formula: C22H29N6O2S+ MolecularWeight: 441.56966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C22H28N6O2S/c1-31(29,30)22-25-16-20(28(22)11-5-8-19-6-3-2-4-7-19)18-26-12-14-27(15-13-26)21-17-23-9-10-24-21/h2-4,6-7,9-10,16-17H,5,8,11-15,18H2,1H3/p+1