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

Systemtic Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-(1-cyclopentyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-phenoxy-propionamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c27-22(13-17-28-20-8-2-1-3-9-20)24-21-10-14-23-26(21)19-11-15-25(16-12-19)18-6-4-5-7-18/h1-3,8-10,14,18-19H,4-7,11-13,15-17H2,(H,24,27)/p+1