N2-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-1,2-diamine; 4-methylbenzenesulfonic acid

Systemtic Name: N2-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-1,2-diamine; 4-methylbenzenesulfonic acid Openeye Name: N2-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-1,2-diamine; 4-methylbenzenesulfonic acid CAS Name: N2-[3-(1-imidazolyl)propyl]-4,5-dihydroimidazole-1,2-diamine; 4-methylbenzenesulfonic acid IUPAC Name: 2-N-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-1,2-diamine; 4-methylbenzenesulfonic acid Traditional Name: (1-amino-2-imidazolin-2-yl)-(3-imidazol-1-ylpropyl)amine; tosylic acid Formula: C16H24N6O3S MolecularWeight: 380.46516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C(=N1)NCCCN2C=CN=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C(=N1)NCCCN2C=CN=C2)N

InChI

InChI=1S/C9H16N6.C7H8O3S/c10-15-7-4-13-9(15)12-2-1-5-14-6-3-11-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h3,6,8H,1-2,4-5,7,10H2,(H,12,13);2-5H,1H3,(H,8,9,10)