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

Systemtic Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-(3-isoxazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c27-21(7-6-17-4-2-1-3-5-17)23-20-8-12-22-26(20)19-9-13-25(14-10-19)16-18-11-15-28-24-18/h1-5,8,11-12,15,19H,6-7,9-10,13-14,16H2,(H,23,27)/p+1