N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-pyrrolidin-1-ium-1-yl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

C1CC[NH+](C1)CCC(=O)NC[C@@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C17H24N2O2/c20-17(7-11-19-9-3-4-10-19)18-13-16-15-6-2-1-5-14(15)8-12-21-16/h1-2,5-6,16H,3-4,7-13H2,(H,18,20)/p+1/t16-/m1/s1