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

Systemtic Name: ethyl-(2-hydroxyethyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(2-hydroxyethyl)ammonium CAS Name: ethyl-(2-hydroxyethyl)-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-ethyl-(2-hydroxyethyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(2-hydroxyethyl)ammonium Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCO)CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O3S/c1-4-21(10-11-23)14-18-12-20-19(22(18)13-16(2)3)26(24,25)15-17-8-6-5-7-9-17/h5-9,12,16,23H,4,10-11,13-15H2,1-3H3/p+1