[N'-[2-(2,3-dihydro-1H-inden-1-yl)ethanoyl]carbamimidoyl]azanium; methanesulfonate

Systemtic Name: [N'-[2-(2,3-dihydro-1H-inden-1-yl)ethanoyl]carbamimidoyl]azanium; methanesulfonate Openeye Name: [N'-(2-indan-1-ylacetyl)carbamimidoyl]ammonium; methanesulfonate CAS Name: [amino-[2-(2,3-dihydro-1H-inden-1-yl)-1-oxoethyl]iminomethyl]ammonium; methanesulfonate IUPAC Name: [N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]carbamimidoyl]azanium; methanesulfonate Traditional Name: [N'-(2-indan-1-ylacetyl)amidino]ammonium mesylate Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CC2=CC=CC=C2C1CC(=O)N=C([NH3+])N

Isomeric SMILES

CS(=O)(=O)[O-].C1CC2=CC=CC=C2C1CC(=O)N=C([NH3+])N

InChI

InChI=1S/C12H15N3O.CH4O3S/c13-12(14)15-11(16)7-9-6-5-8-3-1-2-4-10(8)9;1-5(2,3)4/h1-4,9H,5-7H2,(H4,13,14,15,16);1H3,(H,2,3,4)