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

Systemtic Name: N-[2-[1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[4-(2-hydroxyethoxy)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)OCCO

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)OCCO

InChI

InChI=1S/C26H32N4O3/c31-18-19-33-24-9-6-22(7-10-24)20-29-16-13-23(14-17-29)30-25(12-15-27-30)28-26(32)11-8-21-4-2-1-3-5-21/h1-7,9-10,12,15,23,31H,8,11,13-14,16-20H2,(H,28,32)/p+1