3-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[(1R)-1-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]propionate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-12(13-3-5-14(22-2)6-4-13)17-7-9-18(10-8-17)15(19)11-16(20)21/h3-6,12H,7-11H2,1-2H3,(H,20,21)/t12-/m1/s1