1-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-ylidene]-N-methyl-1-phenyl-methanamine

Systemtic Name: 1-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-ylidene]-N-methyl-1-phenyl-methanamine Openeye Name: 1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-ylidene]-N-methyl-1-phenyl-methanamine CAS Name: 1-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-1-iumylidene]-N-methyl-1-phenylmethanamine IUPAC Name: 1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-ylidene]-N-methyl-1-phenylmethanamine Traditional Name: [[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-ylidene]-phenyl-methyl]-methyl-amine Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=[N+]1CCN(CC1)CCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CNC(=[N+]1CCN(CC1)CCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O/c1-22-20(17-5-3-2-4-6-17)24-13-11-23(12-14-24)15-16-25-19-9-7-18(21)8-10-19/h2-10H,11-16H2,1H3/p+1