1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethyl-4-thiazolyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]azanium Traditional Name: [(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]-piperonyl-ammonium Formula: C15H19N2O2S+ MolecularWeight: 291.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-9(15-10(2)20-11(3)17-15)16-7-12-4-5-13-14(6-12)19-8-18-13/h4-6,9,16H,7-8H2,1-3H3/p+1/t9-/m0/s1