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

Systemtic Name: 4-oxidanylidene-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]butanoate Openeye Name: 4-oxo-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]butanoate CAS Name: 4-oxo-4-[2-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]butanoate Traditional Name: 4-keto-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]butyrate Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H28N2O4/c22-18(8-9-19(23)24)20-11-10-16-6-2-3-7-17(16)25-15-14-21-12-4-1-5-13-21/h2-3,6-7H,1,4-5,8-15H2,(H,20,22)(H,23,24)