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

Systemtic Name: 4-[[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]amino]-4-keto-butyrate Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCCC2

InChI

InChI=1S/C19H28N2O5/c1-2-25-17-13-15(14-20-18(22)7-8-19(23)24)5-6-16(17)26-12-11-21-9-3-4-10-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,20,22)(H,23,24)