N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-(1-phenethyl-4-piperidin-1-iumyl)-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-(1-phenethylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butyramide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c31-26(13-7-12-22-8-3-1-4-9-22)28-25-14-18-27-30(25)24-16-20-29(21-17-24)19-15-23-10-5-2-6-11-23/h1-6,8-11,14,18,24H,7,12-13,15-17,19-21H2,(H,28,31)/p+1