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

Systemtic Name: 4-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]amino]-4-keto-butyrate Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-2-26-18-14-16(15-21-19(23)8-9-20(24)25)6-7-17(18)27-13-12-22-10-4-3-5-11-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,23)(H,24,25)