1,3-benzothiazol-2-ylmethyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N2O2S/c1-20(11-18-19-14-6-2-5-9-17(14)23-18)10-13-12-21-15-7-3-4-8-16(15)22-13/h2-9,13H,10-12H2,1H3/p+1/t13-/m0/s1