4-(4-ethylphenyl)-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide

Systemtic Name: 4-(4-ethylphenyl)-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Openeye Name: 4-(4-ethylphenyl)-4-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide CAS Name: 4-(4-ethylphenyl)-4-oxo-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(4-ethylphenyl)-4-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Traditional Name: 4-(4-ethylphenyl)-4-keto-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butyramide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-2-20-8-10-21(11-9-20)23(28)12-13-24(29)25-14-15-26-16-18-27(19-17-26)22-6-4-3-5-7-22/h3-11H,2,12-19H2,1H3,(H,25,29)/p+1