5-oxidanylidene-5-(4-phenethylpiperazin-4-ium-1-yl)pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c20-16(7-4-8-17(21)22)19-13-11-18(12-14-19)10-9-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,21,22)