4-[2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-keto-butyrate Formula: C19H27ClN2O4 MolecularWeight: 382.88168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H27ClN2O4/c20-16-4-5-17(26-13-12-22-10-2-1-3-11-22)15(14-16)8-9-21-18(23)6-7-19(24)25/h4-5,14H,1-3,6-13H2,(H,21,23)(H,24,25)