bis(2-hydroxyethyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-bis(2-hydroxyethyl)ammonium CAS Name: bis(2-hydroxyethyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-bis(2-hydroxyethyl)ammonium Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](CCO)CCO

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](CCO)CCO

InChI

InChI=1S/C19H29N3O4S/c1-16(2)13-22-18(14-21(8-10-23)9-11-24)12-20-19(22)27(25,26)15-17-6-4-3-5-7-17/h3-7,12,16,23-24H,8-11,13-15H2,1-2H3/p+1