4-[[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-[3-(dimethylammonio)propoxy]-1-naphthyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[3-(dimethylammonio)propoxy]-1-naphthalenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-[3-(dimethylammonio)propoxy]-1-naphthyl]methylamino]-4-keto-butyrate Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H26N2O4/c1-22(2)12-5-13-26-18-9-8-15-6-3-4-7-16(15)17(18)14-21-19(23)10-11-20(24)25/h3-4,6-9H,5,10-14H2,1-2H3,(H,21,23)(H,24,25)