1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azanium Traditional Name: piperonyl-[(4S)-thiochroman-4-yl]ammonium Formula: C17H18NO2S+ MolecularWeight: 300.39532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17NO2S/c1-2-4-17-13(3-1)14(7-8-21-17)18-10-12-5-6-15-16(9-12)20-11-19-15/h1-6,9,14,18H,7-8,10-11H2/p+1/t14-/m0/s1