(2S)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C17H26N3O6S+ MolecularWeight: 400.46984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C17H25N3O6S/c21-14(12-18-7-1-2-8-18)13-26-17-6-5-15(11-16(17)20(22)23)27(24,25)19-9-3-4-10-19/h5-6,11,14,21H,1-4,7-10,12-13H2/p+1/t14-/m0/s1