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

Systemtic Name: 4-[2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]butyrate Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-26-18-15-16(9-10-21-19(23)7-8-20(24)25)5-6-17(18)27-14-13-22-11-3-2-4-12-22/h5-6,15H,2-4,7-14H2,1H3,(H,21,23)(H,24,25)