4-methylbenzenesulfonic acid; N2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydroimidazole-1,2-diamine

Systemtic Name: 4-methylbenzenesulfonic acid; N2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydroimidazole-1,2-diamine Openeye Name: 4-methylbenzenesulfonic acid; N2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydroimidazole-1,2-diamine CAS Name: 4-methylbenzenesulfonic acid; N2-[3-(4-methyl-1-piperazinyl)propyl]-4,5-dihydroimidazole-1,2-diamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydroimidazole-1,2-diamine Traditional Name: (1-amino-2-imidazolin-2-yl)-[3-(4-methylpiperazino)propyl]amine; tosylic acid Formula: C18H32N6O3S MolecularWeight: 412.55008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN(CC1)CCCNC2=NCCN2N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN(CC1)CCCNC2=NCCN2N

InChI

InChI=1S/C11H24N6.C7H8O3S/c1-15-7-9-16(10-8-15)5-2-3-13-11-14-4-6-17(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,12H2,1H3,(H,13,14);2-5H,1H3,(H,8,9,10)