4-methylbenzenesulfonate; pyrrolidin-1-ium-1-ylidenemethanediamine

Systemtic Name: 4-methylbenzenesulfonate; pyrrolidin-1-ium-1-ylidenemethanediamine Openeye Name: 4-methylbenzenesulfonate; pyrrolidin-1-ium-1-ylidenemethanediamine CAS Name: 4-methylbenzenesulfonate; 1-pyrrolidin-1-iumylidenemethanediamine IUPAC Name: 4-methylbenzenesulfonate; pyrrolidin-1-ium-1-ylidenemethanediamine Traditional Name: [amino(pyrrolidin-1-ium-1-ylidene)methyl]amine tosylate Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H11N3/c1-6-2-4-7(5-3-6)11(8,9)10;6-5(7)8-3-1-2-4-8/h2-5H,1H3,(H,8,9,10);1-4H2,(H3,6,7)