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

Systemtic Name: methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-[(1R)-1-isoxazol-3-ylethyl]-methyl-ammonium CAS Name: [(1R)-1-(3-isoxazolyl)ethyl]-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-[(1R)-1-isoxazol-3-ylethyl]-methyl-ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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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)C(C)C3=NOC=C3

Isomeric SMILES

C[C@H](C1=NOC=C1)[NH+](C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H28N4O3S/c1-16(2)29(26,27)21-22-14-19(15-24(4)17(3)20-11-13-28-23-20)25(21)12-10-18-8-6-5-7-9-18/h5-9,11,13-14,16-17H,10,12,15H2,1-4H3/p+1/t17-/m1/s1