N-[(E)-N'-(dimethylcarbamoyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-[(E)-N'-(dimethylcarbamoyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-[(E)-N'-(dimethylcarbamoyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-[(E)-amino-[dimethylamino(oxo)methyl]iminomethyl]-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-[(E)-N'-(dimethylcarbamoyl)carbamimidoyl]-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-[(E)-N'-(dimethylcarbamoyl)amidino]-3-pyrrol-1-yl-benzamide mesylate Formula: C16H20N5O5S- MolecularWeight: 394.4255

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N=C(N)NC(=O)C1=CC(=CC=C1)N2C=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C(=O)/N=C(\N)/NC(=O)C1=CC(=CC=C1)N2C=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H17N5O2.CH4O3S/c1-19(2)15(22)18-14(16)17-13(21)11-6-5-7-12(10-11)20-8-3-4-9-20;1-5(2,3)4/h3-10H,1-2H3,(H3,16,17,18,21,22);1H3,(H,2,3,4)/p-1