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

Systemtic Name: 3-phenoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenoxy-N-[2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenoxy-N-[2-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenoxy-N-[2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenoxy-N-[2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c29-23(11-17-30-21-4-2-1-3-5-21)26-22-8-14-25-28(22)20-9-15-27(16-10-20)18-19-6-12-24-13-7-19/h1-8,12-14,20H,9-11,15-18H2,(H,26,29)/p+1