3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate

Systemtic Name: 3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: 3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanoate IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propionate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c17-13(10-14(18)19)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)