1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethyl-3-thiophenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]azanium Traditional Name: [(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-piperonyl-ammonium Formula: C16H20NO2S+ MolecularWeight: 290.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(S1)C)[C@H](C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19NO2S/c1-10-6-14(12(3)20-10)11(2)17-8-13-4-5-15-16(7-13)19-9-18-15/h4-7,11,17H,8-9H2,1-3H3/p+1/t11-/m0/s1