methyl-(1,2-oxazol-5-ylmethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: methyl-(1,2-oxazol-5-ylmethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(isoxazol-5-ylmethyl)-methyl-ammonium CAS Name: 5-isoxazolylmethyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-(1,2-oxazol-5-ylmethyl)-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-(isoxazol-5-ylmethyl)-methyl-ammonium Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=NO3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=NO3

InChI

InChI=1S/C20H26N4O3S/c1-16(2)28(25,26)20-21-13-18(14-23(3)15-19-9-11-22-27-19)24(20)12-10-17-7-5-4-6-8-17/h4-9,11,13,16H,10,12,14-15H2,1-3H3/p+1