4-methylbenzenesulfonate; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine

Systemtic Name: 4-methylbenzenesulfonate; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine Openeye Name: 4-methylbenzenesulfonate; N-tetralin-5-yl-4,5-dihydro-1H-imidazol-1-ium-2-amine CAS Name: 4-methylbenzenesulfonate; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine IUPAC Name: 4-methylbenzenesulfonate; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine Traditional Name: 2-imidazolin-1-ium-2-yl(tetralin-5-yl)amine tosylate Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2=C(C1)C=CC=C2NC3=NCC[NH2+]3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2=C(C1)C=CC=C2NC3=NCC[NH2+]3

InChI

InChI=1S/C13H17N3.C7H8O3S/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);2-5H,1H3,(H,8,9,10)