1,3-benzothiazol-2-ylmethyl-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-methyl-ammonium Formula: C21H19ClN3O3S+ MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+](C)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+](C)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18ClN3O3S/c1-12-16(9-25(2)10-20-23-15-5-3-4-6-19(15)29-20)24-21(28-12)13-7-17-18(8-14(13)22)27-11-26-17/h3-8H,9-11H2,1-2H3/p+1