(1-azanylpyridin-1-ium-2-yl)-phenyl-methanone; 4-methylbenzenesulfonate

Systemtic Name: (1-azanylpyridin-1-ium-2-yl)-phenyl-methanone; 4-methylbenzenesulfonate Openeye Name: (1-aminopyridin-1-ium-2-yl)-phenyl-methanone; 4-methylbenzenesulfonate CAS Name: (1-amino-2-pyridin-1-iumyl)-phenylmethanone; 4-methylbenzenesulfonate IUPAC Name: (1-aminopyridin-1-ium-2-yl)-phenylmethanone; 4-methylbenzenesulfonate Traditional Name: (1-aminopyridin-1-ium-2-yl)-phenyl-methanone tosylate Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=[N+]2N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=[N+]2N

InChI

InChI=1S/C12H10N2O.C7H8O3S/c13-14-9-5-4-8-11(14)12(15)10-6-2-1-3-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,(H-,13,15);2-5H,1H3,(H,8,9,10)