4-[(N'-methylcarbamimidoyl)amino]butyl 3,4,5-trimethoxybenzoate; sulfuric acid

Systemtic Name: 4-[(N'-methylcarbamimidoyl)amino]butyl 3,4,5-trimethoxybenzoate; sulfuric acid Openeye Name: 4-[(N'-methylcarbamimidoyl)amino]butyl 3,4,5-trimethoxybenzoate; sulfuric acid CAS Name: sulfuric acid; 3,4,5-trimethoxybenzoic acid 4-[[amino(methylimino)methyl]amino]butyl ester IUPAC Name: 4-[(N'-methylcarbamimidoyl)amino]butyl 3,4,5-trimethoxybenzoate; sulfuric acid Traditional Name: sulfuric acid; 3,4,5-trimethoxybenzoic acid 4-[(N'-methylamidino)amino]butyl ester Formula: C16H27N3O9S MolecularWeight: 437.46528

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.OS(=O)(=O)O

Isomeric SMILES

CN=C(N)NCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.OS(=O)(=O)O

InChI

InChI=1S/C16H25N3O5.H2O4S/c1-18-16(17)19-7-5-6-8-24-15(20)11-9-12(21-2)14(23-4)13(10-11)22-3;1-5(2,3)4/h9-10H,5-8H2,1-4H3,(H3,17,18,19);(H2,1,2,3,4)