4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-[2-(4-ethyl-1-piperazin-4-iumyl)anilino]-4-oxobutanoate IUPAC Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-keto-butyrate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-2-18-9-11-19(12-10-18)14-6-4-3-5-13(14)17-15(20)7-8-16(21)22/h3-6H,2,7-12H2,1H3,(H,17,20)(H,21,22)