N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-(1-phenethyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propionamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-25(15-20-31-23-9-5-2-6-10-23)27-24-11-16-26-29(24)22-13-18-28(19-14-22)17-12-21-7-3-1-4-8-21/h1-11,16,22H,12-15,17-20H2,(H,27,30)/p+1