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

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCOCC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

C[NH+](CC1CCOCC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C21H31N3O4S/c1-23(15-19-8-10-28-11-9-19)17-20-14-22-21(29(25,26)13-12-27-2)24(20)16-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15-17H2,1-2H3/p+1