(7-bromanyl-1,3-benzodioxol-5-yl)methyl-[(1S)-1-pyridin-3-ylethyl]azanium

Systemtic Name: (7-bromanyl-1,3-benzodioxol-5-yl)methyl-[(1S)-1-pyridin-3-ylethyl]azanium Openeye Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(3-pyridyl)ethyl]ammonium CAS Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[(1S)-1-pyridin-3-ylethyl]azanium Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(3-pyridyl)ethyl]ammonium Formula: C15H16BrN2O2+ MolecularWeight: 336.20374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)[NH2+]CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

C[C@@H](C1=CN=CC=C1)[NH2+]CC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C15H15BrN2O2/c1-10(12-3-2-4-17-8-12)18-7-11-5-13(16)15-14(6-11)19-9-20-15/h2-6,8,10,18H,7,9H2,1H3/p+1/t10-/m0/s1