1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H19N4S+ MolecularWeight: 335.44596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4S/c1-22(14-19-21-17-9-5-6-10-18(17)24-19)12-15-11-20-23(13-15)16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3/p+1