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

Systemtic Name: 4-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]amino]butyrate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCCC2

InChI

InChI=1S/C18H26N2O5/c1-24-16-12-14(13-19-17(21)6-7-18(22)23)4-5-15(16)25-11-10-20-8-2-3-9-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,21)(H,22,23)