1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-isopropyl-piperazin-4-ium CAS Name: 1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-isopropyl-piperazin-4-ium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H34N4O2S/c1-18(2)17-29(27,28)22-23-14-21(26(22)15-20-8-6-5-7-9-20)16-24-10-12-25(13-11-24)19(3)4/h5-9,14,18-19H,10-13,15-17H2,1-4H3/p+1