1-cyclopentyl-4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperazin-1-ium

Systemtic Name: 1-cyclopentyl-4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-cyclopentyl-4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-1-ium CAS Name: 1-cyclopentyl-4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-2-oxolanyl]methyl]-4-imidazolyl]methyl]piperazin-1-ium IUPAC Name: 1-cyclopentyl-4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-cyclopentyl-4-[[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-1-ium Formula: C22H37N4O3S+ MolecularWeight: 437.61918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)CC5CC5

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)CC3=CN=C(N3C[C@H]4CCCO4)S(=O)(=O)CC5CC5

InChI

InChI=1S/C22H36N4O3S/c27-30(28,17-18-7-8-18)22-23-14-20(26(22)16-21-6-3-13-29-21)15-24-9-11-25(12-10-24)19-4-1-2-5-19/h14,18-19,21H,1-13,15-17H2/p+1/t21-/m1/s1