N-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c23-19-6-8-20(9-7-19)29-17-16-25-12-14-26(15-13-25)21(27)10-11-24-22(28)18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,28)/p+1