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

Systemtic Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-prop-2-ynyl-azanium Openeye Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-prop-2-ynyl-ammonium CAS Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-prop-2-ynylammonium IUPAC Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-prop-2-ynylazanium Traditional Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-propargyl-ammonium Formula: C14H18NO2+ MolecularWeight: 232.29822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)[NH2+]CC#C

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+]CC#C

InChI

InChI=1S/C14H17NO2/c1-3-8-15-11(2)4-5-12-6-7-13-14(9-12)17-10-16-13/h1,6-7,9,11,15H,4-5,8,10H2,2H3/p+1/t11-/m1/s1