[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH+](C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C21H27N3O3S2/c1-17(20-10-7-12-28-20)23(2)16-19-14-22-21(29(25,26)13-11-27-3)24(19)15-18-8-5-4-6-9-18/h4-10,12,14,17H,11,13,15-16H2,1-3H3/p+1/t17-/m1/s1