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

Systemtic Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-17(20-11-12-22-16-24-20)25(2)15-19-14-23-21(29(3,27)28)26(19)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16-17H,7,10,13,15H2,1-3H3/p+1/t17-/m0/s1