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

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H36N4O2S+2 MolecularWeight: 420.61184

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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)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)C3CC[NH+](CC3)C

InChI

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