2-cyanoethyl-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium

Systemtic Name: 2-cyanoethyl-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium Openeye Name: 2-cyanoethyl-[[(1S)-isochroman-1-yl]methyl]ammonium CAS Name: 2-cyanoethyl-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]ammonium IUPAC Name: 2-cyanoethyl-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium Traditional Name: 2-cyanoethyl-[[(1S)-isochroman-1-yl]methyl]ammonium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH2+]CCC#N

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)C[NH2+]CCC#N

InChI

InChI=1S/C13H16N2O/c14-7-3-8-15-10-13-12-5-2-1-4-11(12)6-9-16-13/h1-2,4-5,13,15H,3,6,8-10H2/p+1/t13-/m1/s1