3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C14H19N3O/c1-18-14-5-3-13(4-6-14)17-11-9-16(10-12-17)8-2-7-15/h3-6H,2,8-12H2,1H3/p+1