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

Systemtic Name: 4-oxidanylidene-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethylamino]butanoate Openeye Name: 4-oxo-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]ethylamino]butanoate CAS Name: 4-oxo-4-[2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethylamino]butanoate Traditional Name: 4-keto-4-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]ethylamino]butyrate Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H28N2O4/c25-21(9-10-22(26)27)23-12-11-19-18-6-2-1-5-17(18)7-8-20(19)28-16-15-24-13-3-4-14-24/h1-2,5-8H,3-4,9-16H2,(H,23,25)(H,26,27)