ethyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium

Systemtic Name: ethyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Openeye Name: ethyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium CAS Name: ethyl-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]ammonium IUPAC Name: ethyl-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Traditional Name: ethyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium Formula: C25H41N5+2 MolecularWeight: 411.62654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CN(N=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H39N5/c1-4-29(20-23-19-28(3)26-25(23)22-8-6-5-7-9-22)18-21-10-16-30(17-11-21)24-12-14-27(2)15-13-24/h5-9,19,21,24H,4,10-18,20H2,1-3H3/p+2