methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-[(1R)-1-pyridin-2-ylethyl]azanium

Systemtic Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-[(1R)-1-pyridin-2-ylethyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-[(1R)-1-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-[(1R)-1-pyridin-2-ylethyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1R)-1-(2-pyridyl)ethyl]ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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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)C(C)C3=CC=CC=N3

Isomeric SMILES

C[C@H](C1=CC=CC=N1)[NH+](C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H30N4O2S/c1-18(2)30(28,29)23-25-16-21(27(23)15-13-20-10-6-5-7-11-20)17-26(4)19(3)22-12-8-9-14-24-22/h5-12,14,16,18-19H,13,15,17H2,1-4H3/p+1/t19-/m1/s1