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

Systemtic Name: 5-oxidanylidene-5-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-oxo-5-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]pentanoate CAS Name: 5-oxo-5-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-oxo-5-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]pentanoate Traditional Name: 5-keto-5-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]valerate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-14(15-6-3-2-4-7-15)18-10-12-19(13-11-18)16(20)8-5-9-17(21)22/h2-4,6-7,14H,5,8-13H2,1H3,(H,21,22)/t14-/m1/s1