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

Systemtic Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-[(1R)-1-(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+]C(C)C3=CC=CS3

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+][C@H](C)C3=CC=CS3

InChI

InChI=1S/C17H21NO2S/c1-12(18-13(2)17-4-3-9-21-17)5-6-14-7-8-15-16(10-14)20-11-19-15/h3-4,7-10,12-13,18H,5-6,11H2,1-2H3/p+1/t12-,13-/m1/s1