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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methyl]ammonium Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3OS/c1-14-8-4-5-9-16(14)21-23-18(15(2)25-21)12-24(3)13-20-22-17-10-6-7-11-19(17)26-20/h4-11H,12-13H2,1-3H3/p+1