N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC[C@@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C17H24N2O2/c20-17(13-19-9-4-1-5-10-19)18-12-16-15-7-3-2-6-14(15)8-11-21-16/h2-3,6-7,16H,1,4-5,8-13H2,(H,18,20)/p+1/t16-/m1/s1