N-(3-methylphenyl)-4-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-1,3-thiazol-2-amine

Systemtic Name: N-(3-methylphenyl)-4-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-1,3-thiazol-2-amine Openeye Name: N-(m-tolyl)-4-[(1-oxidopyridin-1-ium-4-yl)methyl]thiazol-2-amine CAS Name: N-(3-methylphenyl)-4-[(1-oxido-4-pyridin-1-iumyl)methyl]-2-thiazolamine IUPAC Name: N-(3-methylphenyl)-4-[(1-oxidopyridin-1-ium-4-yl)methyl]-1,3-thiazol-2-amine Traditional Name: m-tolyl-[4-[(1-oxidopyridin-1-ium-4-yl)methyl]thiazol-2-yl]amine Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=CS2)CC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=CS2)CC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H15N3OS/c1-12-3-2-4-14(9-12)17-16-18-15(11-21-16)10-13-5-7-19(20)8-6-13/h2-9,11H,10H2,1H3,(H,17,18)