5-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[(1R)-1-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]valerate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-14(15-6-8-16(24-2)9-7-15)19-10-12-20(13-11-19)17(21)4-3-5-18(22)23/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,23)/t14-/m1/s1