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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5/c1-25-17-14-15(8-9-20-18(22)6-7-19(23)24)4-5-16(17)26-13-12-21-10-2-3-11-21/h4-5,14H,2-3,6-13H2,1H3,(H,20,22)(H,23,24)