pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: pyridin-1-ium-1-ylamine; 2,4,6-trimethylbesylate Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C5H7N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-7-4-2-1-3-5-7/h4-5H,1-3H3,(H,10,11,12);1-5H,6H2/q;+1/p-1