(2R)-2-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: (2R)-2-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium Openeye Name: (2R)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2-methyl-piperidin-1-ium CAS Name: (2R)-2-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]piperidin-1-ium IUPAC Name: (2R)-2-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium Traditional Name: (2R)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2-methyl-piperidin-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H31N3O2S/c1-17(2)27(25,26)21-22-15-20(16-23-13-8-7-9-18(23)3)24(21)14-12-19-10-5-4-6-11-19/h4-6,10-11,15,17-18H,7-9,12-14,16H2,1-3H3/p+1/t18-/m1/s1