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

Systemtic Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[2-(2-thienyl)ethyl]ammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)[NH2+]CCC3=CC=CS3

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+]CCC3=CC=CS3

InChI

InChI=1S/C17H21NO2S/c1-13(18-9-8-15-3-2-10-21-15)4-5-14-6-7-16-17(11-14)20-12-19-16/h2-3,6-7,10-11,13,18H,4-5,8-9,12H2,1H3/p+1/t13-/m1/s1