4-[2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-keto-butyrate Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C21H32N2O5/c1-2-27-19-16-17(10-11-22-20(24)8-9-21(25)26)6-7-18(19)28-15-14-23-12-4-3-5-13-23/h6-7,16H,2-5,8-15H2,1H3,(H,22,24)(H,25,26)