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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCN(CC2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)CC5CC5

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)CC3=CN=C(N3C[C@H]4CCCO4)S(=O)(=O)CC5CC5

InChI

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