N-[[(3R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: N-[[(3R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]ethanamide Openeye Name: N-[[(3R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]acetamide CAS Name: N-[[(3R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]methyl]acetamide IUPAC Name: N-[[(3R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]acetamide Traditional Name: N-[[(3R)-1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]acetamide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CCC[NH+](C1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

CC(=O)NC[C@H]1CCC[NH+](C1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C25H36N4O/c1-19(30)26-15-20-7-6-14-29(16-20)18-24-17-28(2)27-25(24)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h10-13,17,20-21H,3-9,14-16,18H2,1-2H3,(H,26,30)/p+1/t20-/m1/s1