methyl-(oxan-4-yl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: methyl-(oxan-4-yl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: methyl-(4-oxanyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-(oxan-4-yl)-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-tetrahydropyran-4-yl-ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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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)C3CCOCC3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C3CCOCC3

InChI

InChI=1S/C21H31N3O3S/c1-17(2)28(25,26)21-22-15-20(16-23(3)19-10-13-27-14-11-19)24(21)12-9-18-7-5-4-6-8-18/h4-8,15,17,19H,9-14,16H2,1-3H3/p+1