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

Systemtic Name: methyl-(oxan-4-ylmethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: methyl-(4-oxanylmethyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-(oxan-4-ylmethyl)-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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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)CC3CCOCC3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3CCOCC3

InChI

InChI=1S/C22H33N3O3S/c1-18(2)29(26,27)22-23-15-21(17-24(3)16-20-10-13-28-14-11-20)25(22)12-9-19-7-5-4-6-8-19/h4-8,15,18,20H,9-14,16-17H2,1-3H3/p+1