N-methyl-2-(2-methyl-1H-imidazol-3-ium-3-yl)-N-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]ethanamine

Systemtic Name: N-methyl-2-(2-methyl-1H-imidazol-3-ium-3-yl)-N-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]ethanamine Openeye Name: N-methyl-2-(2-methyl-1H-imidazol-3-ium-3-yl)-N-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]ethanamine CAS Name: N-methyl-2-(2-methyl-1H-imidazol-3-ium-3-yl)-N-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]ethanamine IUPAC Name: N-methyl-2-(2-methyl-1H-imidazol-3-ium-3-yl)-N-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]ethanamine Traditional Name: methyl-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]amine Formula: C19H32N5O3S+ MolecularWeight: 410.55408

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN(C)CC[N+]3=C(NC=C3)C

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)CN(C)CC[N+]3=C(NC=C3)C

InChI

InChI=1S/C19H31N5O3S/c1-4-12-28(25,26)19-21-13-17(24(19)15-18-6-5-11-27-18)14-22(3)9-10-23-8-7-20-16(23)2/h7-8,13,18H,4-6,9-12,14-15H2,1-3H3/p+1/t18-/m1/s1