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

Systemtic Name: 4-[[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-methoxy-2-(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=CC=CC(=C1OCC[NH+]2CCCCC2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CNC(=O)CCC(=O)[O-]

InChI

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