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

Systemtic Name: (2S)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[(1S)-isochroman-1-yl]methyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-1-methyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-methylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[(1S)-isochroman-1-yl]methyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

C[NH+]1CCC[C@H]1C(=O)NC[C@@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C16H22N2O2/c1-18-9-4-7-14(18)16(19)17-11-15-13-6-3-2-5-12(13)8-10-20-15/h2-3,5-6,14-15H,4,7-11H2,1H3,(H,17,19)/p+1/t14-,15+/m0/s1