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

Systemtic Name: 3-phenoxy-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: 3-phenoxy-N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propionamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c29-24(14-18-30-22-9-5-2-6-10-22)26-23-11-15-25-28(23)21-12-16-27(17-13-21)19-20-7-3-1-4-8-20/h1-11,15,21H,12-14,16-19H2,(H,26,29)/p+1