2-piperidin-1-ium-1-yl-N-(3-pyrazol-1-ylpropyl)-1,3-dihydroindene-2-carboxamide

Systemtic Name: 2-piperidin-1-ium-1-yl-N-(3-pyrazol-1-ylpropyl)-1,3-dihydroindene-2-carboxamide Openeye Name: 2-piperidin-1-ium-1-yl-N-(3-pyrazol-1-ylpropyl)indane-2-carboxamide CAS Name: 2-(1-piperidin-1-iumyl)-N-[3-(1-pyrazolyl)propyl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-piperidin-1-ium-1-yl-N-(3-pyrazol-1-ylpropyl)-1,3-dihydroindene-2-carboxamide Traditional Name: 2-piperidin-1-ium-1-yl-N-(3-pyrazol-1-ylpropyl)indane-2-carboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCCCN4C=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCCCN4C=CC=N4

InChI

InChI=1S/C21H28N4O/c26-20(22-10-6-14-25-15-7-11-23-25)21(24-12-4-1-5-13-24)16-18-8-2-3-9-19(18)17-21/h2-3,7-9,11,15H,1,4-6,10,12-14,16-17H2,(H,22,26)/p+1