3-oxidanylidene-6-[1-(1-phenylethyl)piperazin-1-ium-1-yl]hexanoate

Systemtic Name: 3-oxidanylidene-6-[1-(1-phenylethyl)piperazin-1-ium-1-yl]hexanoate Openeye Name: 3-oxo-6-[1-(1-phenylethyl)piperazin-1-ium-1-yl]hexanoate CAS Name: 3-oxo-6-[1-(1-phenylethyl)-1-piperazin-1-iumyl]hexanoate IUPAC Name: 3-oxo-6-[1-(1-phenylethyl)piperazin-1-ium-1-yl]hexanoate Traditional Name: 3-keto-6-[1-(1-phenylethyl)piperazin-1-ium-1-yl]hexanoate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2(CCNCC2)CCCC(=O)CC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)[N+]2(CCNCC2)CCCC(=O)CC(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-15(16-6-3-2-4-7-16)20(12-9-19-10-13-20)11-5-8-17(21)14-18(22)23/h2-4,6-7,15,19H,5,8-14H2,1H3