4-tert-butylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-tert-butylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-tert-butylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-tert-butyl-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-tert-butylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (4-tert-butylpyridin-1-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N2.C9H12O3S/c1-9(2,3)8-4-6-11(10)7-5-8;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-7H,10H2,1-3H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1