bis(2-hydroxyethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CCO)CCO

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CCO)CCO

InChI

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