N-[2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3/c22-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)20(26)16-23-21(27)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,27)/p+1