4-[[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H24ClN3O+2 MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22ClN3O/c1-25-20-7-6-19(21)12-18(20)15-24-10-8-23(9-11-24)14-17-4-2-16(13-22)3-5-17/h2-7,12H,8-11,14-15H2,1H3/p+2