1,3-benzothiazol-2-ylmethyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1O)OCO2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1O)OCO2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N2O3S/c1-19(9-17-18-12-4-2-3-5-16(12)23-17)8-11-6-14-15(7-13(11)20)22-10-21-14/h2-7,20H,8-10H2,1H3/p+1