4-(methoxymethyl)-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: 4-(methoxymethyl)-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-(methoxymethyl)piperidin-1-ium CAS Name: 4-(methoxymethyl)-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-(methoxymethyl)piperidin-1-ium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCC(CC3)COC

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCC(CC3)COC

InChI

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