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

Systemtic Name: N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(4-hydroxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=C(C=C4)O

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H28N4O3/c29-21-8-6-19(7-9-21)18-27-15-11-20(12-16-27)28-23(10-14-25-28)26-24(30)13-17-31-22-4-2-1-3-5-22/h1-10,14,20,29H,11-13,15-18H2,(H,26,30)/p+1