N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2/c25-20(21-16-8-9-16)13-24-10-4-5-15(12-24)19-11-17(22-23-19)14-26-18-6-2-1-3-7-18/h1-7,10-12,16H,8-9,13-14H2,(H-,21,22,23,25)/p+1