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

Systemtic Name: 4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butanoate Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutanoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyrate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c18-14(6-7-15(19)20)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,19,20)