2-[2-(2-azanylethyl)-1-cyclohexylcarbonyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-(2-azanylethyl)-1-cyclohexylcarbonyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]benzenecarbonitrile Openeye Name: 2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]benzonitrile CAS Name: 2-[2-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]benzonitrile IUPAC Name: 2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]benzonitrile Traditional Name: 2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]benzonitrile Formula: C27H35N4O2+ MolecularWeight: 447.5924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H35N4O2/c1-33-26-14-8-6-12-24(26)30-17-18-31(23(20-30)15-16-28,25-13-7-5-11-22(25)19-29)27(32)21-9-3-2-4-10-21/h5-8,11-14,21,23H,2-4,9-10,15-18,20,28H2,1H3/q+1