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

Systemtic Name: 4-oxidanylidene-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]butanoate Openeye Name: 4-oxo-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]butanoate CAS Name: 4-oxo-4-[2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]butanoate Traditional Name: 4-keto-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]butyrate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H26N2O4/c21-17(7-8-18(22)23)19-10-9-15-5-1-2-6-16(15)24-14-13-20-11-3-4-12-20/h1-2,5-6H,3-4,7-14H2,(H,19,21)(H,22,23)