4-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(1S)-1-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]butyrate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-13(14-3-5-15(23-2)6-4-14)18-9-11-19(12-10-18)16(20)7-8-17(21)22/h3-6,13H,7-12H2,1-2H3,(H,21,22)/t13-/m0/s1