N-[2-[1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[4-(2-hydroxyethoxy)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)OCCO

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)OCCO

InChI

InChI=1S/C22H32N4O3/c1-17(2)15-22(28)24-21-7-10-23-26(21)19-8-11-25(12-9-19)16-18-3-5-20(6-4-18)29-14-13-27/h3-7,10,17,19,27H,8-9,11-16H2,1-2H3,(H,24,28)/p+1