(5-cyclohexyl-1H-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium

Systemtic Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C26H42N4O+2 MolecularWeight: 426.63788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=C(NN=C3)C4CCCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=C(NN=C3)C4CCCCC4

InChI

InChI=1S/C26H40N4O/c1-29-15-12-22(13-16-29)19-30(17-14-21-8-10-25(31-2)11-9-21)20-24-18-27-28-26(24)23-6-4-3-5-7-23/h8-11,18,22-23H,3-7,12-17,19-20H2,1-2H3,(H,27,28)/p+2