[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(3-thenyl)ammonium Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C20H25N3O3S2/c1-22(13-18-8-10-27-16-18)15-19-12-21-20(28(24,25)11-9-26-2)23(19)14-17-6-4-3-5-7-17/h3-8,10,12,16H,9,11,13-15H2,1-2H3/p+1