4-methylbenzenesulfonate; [(E)-N'-[N'-(phenylmethyl)carbamimidoyl]carbamimidoyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(E)-N'-[N'-(phenylmethyl)carbamimidoyl]carbamimidoyl]azanium Openeye Name: [(E)-N'-(N'-benzylcarbamimidoyl)carbamimidoyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(E)-amino-[amino-(phenylmethyl)iminomethyl]iminomethyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(E)-N'-(N'-benzylcarbamimidoyl)carbamimidoyl]azanium; 4-methylbenzenesulfonate Traditional Name: [(E)-N'-(N'-benzylamidino)amidino]ammonium tosylate Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CN=C(N)N=C([NH3+])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CN=C(N)/N=C(/[NH3+])\N

InChI

InChI=1S/C9H13N5.C7H8O3S/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6H2,(H6,10,11,12,13,14);2-5H,1H3,(H,8,9,10)