(5-ethoxycarbonyl-1-methyl-2-nitro-pyrrol-3-yl)methyl-bis(2-hydroxyethyl)-methyl-azanium chloride

Systemtic Name: (5-ethoxycarbonyl-1-methyl-2-nitro-pyrrol-3-yl)methyl-bis(2-hydroxyethyl)-methyl-azanium chloride Openeye Name: (5-ethoxycarbonyl-1-methyl-2-nitro-pyrrol-3-yl)methyl-bis(2-hydroxyethyl)-methyl-ammonium chloride CAS Name: (5-ethoxycarbonyl-1-methyl-2-nitro-3-pyrrolyl)methyl-bis(2-hydroxyethyl)-methylammonium chloride IUPAC Name: (5-ethoxycarbonyl-1-methyl-2-nitropyrrol-3-yl)methyl-bis(2-hydroxyethyl)-methylazanium chloride Traditional Name: (5-carbethoxy-1-methyl-2-nitro-pyrrol-3-yl)methyl-bis(2-hydroxyethyl)-methyl-ammonium chloride Formula: C14H24ClN3O6 MolecularWeight: 365.80986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C[N+](C)(CCO)CCO.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C[N+](C)(CCO)CCO.[Cl-]

InChI

InChI=1S/C14H24N3O6.ClH/c1-4-23-14(20)12-9-11(13(15(12)2)16(21)22)10-17(3,5-7-18)6-8-19;/h9,18-19H,4-8,10H2,1-3H3;1H/q+1;/p-1