2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-pyridin-3-ylethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-pyridin-3-ylethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(3-pyridyl)ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-pyridin-3-ylethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(3-pyridyl)ethyl]ammonium Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)[NH2+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@@H](C1=CN=CC=C1)[NH2+]CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H18N2O2/c1-12(14-3-2-6-17-11-14)18-10-13-4-5-15-16(9-13)20-8-7-19-15/h2-6,9,11-12,18H,7-8,10H2,1H3/p+1/t12-/m0/s1