ethyl-(2-methylprop-2-enyl)-[(2R)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: ethyl-(2-methylprop-2-enyl)-[(2R)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: ethyl-[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]-(2-methylallyl)ammonium CAS Name: ethyl-[(2R)-2-hydroxy-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propyl]-(2-methylprop-2-enyl)ammonium IUPAC Name: ethyl-[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propyl]-(2-methylprop-2-enyl)azanium Traditional Name: ethyl-[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propyl]-(2-methylallyl)ammonium Formula: C19H30N3O6S+ MolecularWeight: 428.523

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])O)CC(=C)C

Isomeric SMILES

CC[NH+](C[C@H](COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])O)CC(=C)C

InChI

InChI=1S/C19H29N3O6S/c1-4-20(12-15(2)3)13-16(23)14-28-19-8-7-17(11-18(19)22(24)25)29(26,27)21-9-5-6-10-21/h7-8,11,16,23H,2,4-6,9-10,12-14H2,1,3H3/p+1/t16-/m1/s1