methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-pyridin-2-ylethyl]azanium

Systemtic Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-pyridin-2-ylethyl]azanium Openeye Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-[(1S)-1-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-pyridin-2-ylethyl]azanium Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(1S)-1-(2-pyridyl)ethyl]ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)[NH+](C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)[NH+](C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O2S/c1-18(21-13-7-8-14-23-21)25(2)17-20-16-24-22(29(3,27)28)26(20)15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16,18H,9,12,15,17H2,1-3H3/p+1/t18-/m0/s1