(1-methylpyrazol-4-yl)methyl-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (1-methylpyrazol-4-yl)methyl-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-[(1-methylpyrazol-4-yl)methyl]-[[2-methylsulfonyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ammonium CAS Name: (1-methyl-4-pyrazolyl)methyl-[[2-methylsulfonyl-3-[[(2S)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-propan-2-ylammonium IUPAC Name: (1-methylpyrazol-4-yl)methyl-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-[[2-mesyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C18H30N5O3S+ MolecularWeight: 396.5275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN=C(N1CC2CCCO2)S(=O)(=O)C)CC3=CN(N=C3)C

Isomeric SMILES

CC(C)[NH+](CC1=CN=C(N1C[C@@H]2CCCO2)S(=O)(=O)C)CC3=CN(N=C3)C

InChI

InChI=1S/C18H29N5O3S/c1-14(2)22(11-15-8-20-21(3)10-15)12-16-9-19-18(27(4,24)25)23(16)13-17-6-5-7-26-17/h8-10,14,17H,5-7,11-13H2,1-4H3/p+1/t17-/m0/s1