5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-5-keto-valerate Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5/c1-14(15-7-8-16(25-2)17(13-15)26-3)20-9-11-21(12-10-20)18(22)5-4-6-19(23)24/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,24)/t14-/m1/s1