methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C23H38N4O2S+2 MolecularWeight: 434.63842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CCC[NH+]3CCCC3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CCC[NH+]3CCCC3

InChI

InChI=1S/C23H36N4O2S/c1-20(2)19-30(28,29)23-24-16-22(27(23)17-21-10-5-4-6-11-21)18-25(3)12-9-15-26-13-7-8-14-26/h4-6,10-11,16,20H,7-9,12-15,17-19H2,1-3H3/p+2