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

Systemtic Name: 3-phenoxy-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenoxy-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenoxy-N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenoxy-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenoxy-N-[2-[1-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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