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

Systemtic Name: 1-(cyclopropylmethyl)-4-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-(cyclopropylmethyl)piperazin-4-ium CAS Name: 1-(cyclopropylmethyl)-4-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]piperazin-1-ium IUPAC Name: 1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-4-(cyclopropylmethyl)piperazin-4-ium Traditional Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-(cyclopropylmethyl)piperazin-4-ium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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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)CC4CC4

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CC4CC4

InChI

InChI=1S/C23H34N4O2S/c1-19(2)18-30(28,29)23-24-14-22(27(23)16-20-6-4-3-5-7-20)17-26-12-10-25(11-13-26)15-21-8-9-21/h3-7,14,19,21H,8-13,15-18H2,1-2H3/p+1