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

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [(1S)-isochroman-1-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2C3=CC=CC=C3CCO2

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-2-6-15-14(5-1)7-12-19-16(15)13-17-8-11-18-9-3-4-10-18/h1-2,5-6,16-17H,3-4,7-13H2/p+1/t16-/m1/s1