2-chloranyl-6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-chloro-6-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-chloro-6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-chloro-6-(4-p-anisylpiperazin-4-ium-1-yl)benzonitrile Formula: C19H21ClN3O+ MolecularWeight: 342.84254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O/c1-24-16-7-5-15(6-8-16)14-22-9-11-23(12-10-22)19-4-2-3-18(20)17(19)13-21/h2-8H,9-12,14H2,1H3/p+1