4-[2-[3-[3-(dimethylazaniumyl)propoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[3-[3-(dimethylazaniumyl)propoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-[3-(dimethylammonio)propoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-[3-(dimethylammonio)propoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-[3-(dimethylazaniumyl)propoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-[3-(dimethylammonio)propoxy]phenyl]ethylamino]-4-keto-butyrate Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H26N2O4/c1-19(2)11-4-12-23-15-6-3-5-14(13-15)9-10-18-16(20)7-8-17(21)22/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,20)(H,21,22)