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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)[O-])OCC[NH+]2CCCCC2

InChI

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