[1-(2-azanyl-1-pyridin-2-yl-ethyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone

Systemtic Name: [1-(2-azanyl-1-pyridin-2-yl-ethyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Openeye Name: [1-[2-amino-1-(2-pyridyl)ethyl]-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone CAS Name: [1-[2-amino-1-(2-pyridinyl)ethyl]-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-cyclohexylmethanone IUPAC Name: [1-(2-amino-1-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexylmethanone Traditional Name: [1-[2-amino-1-(2-pyridyl)ethyl]-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Formula: C25H35N4O2+ MolecularWeight: 423.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](CC2)(C(CN)C3=CC=CC=N3)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](CC2)(C(CN)C3=CC=CC=N3)C(=O)C4CCCCC4

InChI

InChI=1S/C25H35N4O2/c1-31-24-13-6-5-12-22(24)28-15-17-29(18-16-28,25(30)20-9-3-2-4-10-20)23(19-26)21-11-7-8-14-27-21/h5-8,11-14,20,23H,2-4,9-10,15-19,26H2,1H3/q+1