2-piperidin-1-ium-1-yl-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-dihydroindene-2-carboxamide

Systemtic Name: 2-piperidin-1-ium-1-yl-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-dihydroindene-2-carboxamide Openeye Name: 2-piperidin-1-ium-1-yl-N-[(1S)-1-pyrimidin-4-ylethyl]indane-2-carboxamide CAS Name: 2-(1-piperidin-1-iumyl)-N-[(1S)-1-(4-pyrimidinyl)ethyl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-piperidin-1-ium-1-yl-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-dihydroindene-2-carboxamide Traditional Name: 2-piperidin-1-ium-1-yl-N-[(1S)-1-(4-pyrimidyl)ethyl]indane-2-carboxamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

InChI

InChI=1S/C21H26N4O/c1-16(19-9-10-22-15-23-19)24-20(26)21(25-11-5-2-6-12-25)13-17-7-3-4-8-18(17)14-21/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H,24,26)/p+1/t16-/m0/s1