4-methylbenzenesulfonate; piperidin-1-ium-1-ylidenemethanediamine

Systemtic Name: 4-methylbenzenesulfonate; piperidin-1-ium-1-ylidenemethanediamine Openeye Name: 4-methylbenzenesulfonate; piperidin-1-ium-1-ylidenemethanediamine CAS Name: 4-methylbenzenesulfonate; 1-piperidin-1-iumylidenemethanediamine IUPAC Name: 4-methylbenzenesulfonate; piperidin-1-ium-1-ylidenemethanediamine Traditional Name: [amino(piperidin-1-ium-1-ylidene)methyl]amine tosylate Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[N+](=C(N)N)CC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[N+](=C(N)N)CC1

InChI

InChI=1S/C7H8O3S.C6H13N3/c1-6-2-4-7(5-3-6)11(8,9)10;7-6(8)9-4-2-1-3-5-9/h2-5H,1H3,(H,8,9,10);1-5H2,(H3,7,8)