N-methyl-N-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-methyl-N-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[[3-isobutyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-N-methyl-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-methyl-N-[[3-(2-methylpropyl)-2-[[(2R)-2-oxolanyl]methylsulfonyl]-4-imidazolyl]methyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-methyl-N-[[3-(2-methylpropyl)-2-[[(2R)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: [3-isobutyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfonyl]imidazol-4-yl]methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C21H39N4O3S+ MolecularWeight: 427.62436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2CCCO2)CN(C)CCC[NH+]3CCCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C[C@H]2CCCO2)CN(C)CCC[NH+]3CCCC3

InChI

InChI=1S/C21H38N4O3S/c1-18(2)15-25-19(16-23(3)9-7-12-24-10-4-5-11-24)14-22-21(25)29(26,27)17-20-8-6-13-28-20/h14,18,20H,4-13,15-17H2,1-3H3/p+1/t20-/m1/s1