[N'-[(2-hexyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-7-yl)carbonyl]carbamimidoyl]azanium chloride

Systemtic Name: [N'-[(2-hexyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-7-yl)carbonyl]carbamimidoyl]azanium chloride Openeye Name: [N'-(2-hexyl-4-isopropyl-3-oxo-1,4-benzoxazine-7-carbonyl)carbamimidoyl]ammonium chloride CAS Name: [amino-[(2-hexyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)-oxomethyl]iminomethyl]ammonium chloride IUPAC Name: [N'-(2-hexyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carbonyl)carbamimidoyl]azanium chloride Traditional Name: [N'-(2-hexyl-4-isopropyl-3-keto-1,4-benzoxazine-7-carbonyl)amidino]ammonium chloride Formula: C19H29ClN4O3 MolecularWeight: 396.91156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)N=C([NH3+])N)C(C)C.[Cl-]

Isomeric SMILES

CCCCCCC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)N=C([NH3+])N)C(C)C.[Cl-]

InChI

InChI=1S/C19H28N4O3.ClH/c1-4-5-6-7-8-15-18(25)23(12(2)3)14-10-9-13(11-16(14)26-15)17(24)22-19(20)21;/h9-12,15H,4-8H2,1-3H3,(H4,20,21,22,24);1H