3-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide

Systemtic Name: 3-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C26H39N4O2+ MolecularWeight: 439.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=C(NN=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=C(NN=C3)C4CCCCC4

InChI

InChI=1S/C26H38N4O2/c1-19-15-23(32-2)11-12-24(19)28-25(31)13-10-20-7-6-14-30(17-20)18-22-16-27-29-26(22)21-8-4-3-5-9-21/h11-12,15-16,20-21H,3-10,13-14,17-18H2,1-2H3,(H,27,29)(H,28,31)/p+1/t20-/m1/s1