bis(2-hydroxyethyl)azanium; 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate

Systemtic Name: bis(2-hydroxyethyl)azanium; 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate Openeye Name: bis(2-hydroxyethyl)ammonium; 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate CAS Name: bis(2-hydroxyethyl)ammonium; 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate IUPAC Name: bis(2-hydroxyethyl)azanium; 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate Traditional Name: bis(2-hydroxyethyl)ammonium; 2-[3-chloro-4-(3-pyrrolin-1-yl)phenyl]propionate Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)[O-].C(CO)[NH2+]CCO

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)[O-].C(CO)[NH2+]CCO

InChI

InChI=1S/C13H14ClNO2.C4H11NO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15;6-3-1-5-2-4-7/h2-5,8-9H,6-7H2,1H3,(H,16,17);5-7H,1-4H2