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

Systemtic Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-(3-isoxazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c27-21(10-14-28-19-4-2-1-3-5-19)23-20-6-11-22-26(20)18-7-12-25(13-8-18)16-17-9-15-29-24-17/h1-6,9,11,15,18H,7-8,10,12-14,16H2,(H,23,27)/p+1