methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(oxan-4-ylmethyl)azanium

Systemtic Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(oxan-4-ylmethyl)azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-(4-oxanylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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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)CC3CCOCC3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3CCOCC3

InChI

InChI=1S/C22H33N3O3S/c1-18(2)17-29(26,27)22-23-13-21(25(22)15-19-7-5-4-6-8-19)16-24(3)14-20-9-11-28-12-10-20/h4-8,13,18,20H,9-12,14-17H2,1-3H3/p+1