4-[[4-[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,5-dichloro-4-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,5-dichloro-4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,5-dichloro-4-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H20Cl2N3O2+ MolecularWeight: 405.2977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19Cl2N3O2/c1-27-19-17(21)10-16(11-18(19)22)20(26)25-8-6-24(7-9-25)13-15-4-2-14(12-23)3-5-15/h2-5,10-11H,6-9,13H2,1H3/p+1