N-[(Z)-N'-(hydroxymethyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-[(Z)-N'-(hydroxymethyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-[(Z)-N'-(hydroxymethyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-[(Z)-amino(hydroxymethylimino)methyl]-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-[(Z)-N'-(hydroxymethyl)carbamimidoyl]-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-[(Z)-N'-methylolamidino]-3-pyrrol-1-yl-benzamide mesylate Formula: C14H17N4O5S- MolecularWeight: 353.37358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CN(C=C1)C2=CC=CC(=C2)C(=O)NC(=NCO)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CN(C=C1)C2=CC=CC(=C2)C(=O)N/C(=N\CO)/N

InChI

InChI=1S/C13H14N4O2.CH4O3S/c14-13(15-9-18)16-12(19)10-4-3-5-11(8-10)17-6-1-2-7-17;1-5(2,3)4/h1-8,18H,9H2,(H3,14,15,16,19);1H3,(H,2,3,4)/p-1