3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-(2-ethyl-4-methyl-pyrazol-3-yl)propanamide

Systemtic Name: 3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-(2-ethyl-4-methyl-pyrazol-3-yl)propanamide Openeye Name: N-(2-ethyl-4-methyl-pyrazol-3-yl)-3-isoindolin-2-ium-2-yl-propanamide CAS Name: 3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-(2-ethyl-4-methyl-3-pyrazolyl)propanamide IUPAC Name: 3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-(2-ethyl-4-methylpyrazol-3-yl)propanamide Traditional Name: N-(2-ethyl-4-methyl-pyrazol-3-yl)-3-isoindolin-2-ium-2-yl-propionamide Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C)NC(=O)CC[NH+]2CC3=CC=CC=C3C2

Isomeric SMILES

CCN1C(=C(C=N1)C)NC(=O)CC[NH+]2CC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4O/c1-3-21-17(13(2)10-18-21)19-16(22)8-9-20-11-14-6-4-5-7-15(14)12-20/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,19,22)/p+1