[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-(3-pyridylmethyl)ammonium CAS Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-(3-pyridylmethyl)ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)[NH2+]CC3=CN=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C17H20N2O2/c1-13(19-11-15-3-2-8-18-10-15)4-5-14-6-7-16-17(9-14)21-12-20-16/h2-3,6-10,13,19H,4-5,11-12H2,1H3/p+1/t13-/m1/s1