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

Systemtic Name: 5-oxidanylidene-5-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-oxo-5-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]pentanoate CAS Name: 5-oxo-5-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-oxo-5-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]pentanoate Traditional Name: 5-keto-5-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]valerate Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)CCCC(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C23H28N2O4/c1-18(19-10-12-21(13-11-19)29-20-6-3-2-4-7-20)24-14-16-25(17-15-24)22(26)8-5-9-23(27)28/h2-4,6-7,10-13,18H,5,8-9,14-17H2,1H3,(H,27,28)/t18-/m1/s1