4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCCN(CC3)C=O

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCCN(CC3)C=O

InChI

InChI=1S/C18H30N4O4S/c1-2-11-27(24,25)18-19-12-16(22(18)14-17-5-3-10-26-17)13-20-6-4-7-21(15-23)9-8-20/h12,15,17H,2-11,13-14H2,1H3/p+1/t17-/m1/s1