1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4OS/c1-12(18-21-14-8-4-3-7-13(14)19(24)22-18)23(2)11-17-20-15-9-5-6-10-16(15)25-17/h3-10,12H,11H2,1-2H3,(H,21,22,24)/p+1/t12-/m1/s1