4-[[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-2-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20ClN3O2/c1-26-19-7-6-17(21)12-18(19)20(25)24-10-8-23(9-11-24)14-16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3/p+1