1,3-benzodioxol-5-ylmethyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylazanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-piperonyl-ammonium Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O2S/c1-12(18-19-14-5-3-4-6-17(14)23-18)20(2)10-13-7-8-15-16(9-13)22-11-21-15/h3-9,12H,10-11H2,1-2H3/p+1/t12-/m1/s1