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

Systemtic Name: 4-[2-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-keto-butyrate Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Cl)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Cl)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H25ClN2O4/c19-15-3-4-16(25-12-11-21-9-1-2-10-21)14(13-15)7-8-20-17(22)5-6-18(23)24/h3-4,13H,1-2,5-12H2,(H,20,22)(H,23,24)