N-[2-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]ethyl]ethanamide

Systemtic Name: N-[2-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]ethyl]ethanamide Openeye Name: N-[2-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]ethyl]acetamide CAS Name: N-[2-[1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]ethyl]acetamide Traditional Name: N-[2-[1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]ethyl]acetamide Formula: C26H39N4O+ MolecularWeight: 423.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

CC(=O)NCCC1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C26H38N4O/c1-20(31)27-15-12-21-13-16-30(17-14-21)19-25-18-29(2)28-26(25)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h8-11,18,21-22H,3-7,12-17,19H2,1-2H3,(H,27,31)/p+1