N-[4-(4-chloranylphenoxy)butyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(4-chloranylphenoxy)butyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(4-chlorophenoxy)butyl]acetamide CAS Name: N-[4-(4-chlorophenoxy)butyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(4-chlorophenoxy)butyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(4-chlorophenoxy)butyl]acetamide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCCOC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCCOC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H30ClN3O2/c24-21-8-10-22(11-9-21)29-17-5-4-12-25-23(28)19-27-15-13-26(14-16-27)18-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-19H2,(H,25,28)/p+1