(3,5-dimethylphenyl)methanesulfonate; pyridin-1-ium-1-amine

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; pyridin-1-ium-1-amine Openeye Name: (3,5-dimethylphenyl)methanesulfonate; pyridin-1-ium-1-amine CAS Name: (3,5-dimethylphenyl)methanesulfonate; 1-pyridin-1-iumamine IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; pyridin-1-ium-1-amine Traditional Name: (3,5-dimethylphenyl)methanesulfonate; pyridin-1-ium-1-ylamine Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=CC=[N+](C=C1)N

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=CC=[N+](C=C1)N

InChI

InChI=1S/C9H12O3S.C5H7N2/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;6-7-4-2-1-3-5-7/h3-5H,6H2,1-2H3,(H,10,11,12);1-5H,6H2/q;+1/p-1