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

Systemtic Name: 4-oxidanylidene-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]methylamino]butanoate Openeye Name: 4-oxo-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]methylamino]butanoate CAS Name: 4-oxo-4-[[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]methylamino]butanoate IUPAC Name: 4-oxo-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]methylamino]butanoate Traditional Name: 4-keto-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]methylamino]butyrate Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c24-20(9-10-21(25)26)22-15-18-17-6-2-1-5-16(17)7-8-19(18)27-14-13-23-11-3-4-12-23/h1-2,5-8H,3-4,9-15H2,(H,22,24)(H,25,26)