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

Systemtic Name: [N'-[(2-butyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-7-yl)carbonyl]carbamimidoyl]azanium chloride Openeye Name: [N'-(2-butyl-4-isopropyl-3-oxo-1,4-benzoxazine-7-carbonyl)carbamimidoyl]ammonium chloride CAS Name: [amino-[(2-butyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)-oxomethyl]iminomethyl]ammonium chloride IUPAC Name: [N'-(2-butyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carbonyl)carbamimidoyl]azanium chloride Traditional Name: [N'-(2-butyl-4-isopropyl-3-keto-1,4-benzoxazine-7-carbonyl)amidino]ammonium chloride Formula: C17H25ClN4O3 MolecularWeight: 368.8584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)N=C([NH3+])N)C(C)C.[Cl-]

Isomeric SMILES

CCCCC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)N=C([NH3+])N)C(C)C.[Cl-]

InChI

InChI=1S/C17H24N4O3.ClH/c1-4-5-6-13-16(23)21(10(2)3)12-8-7-11(9-14(12)24-13)15(22)20-17(18)19;/h7-10,13H,4-6H2,1-3H3,(H4,18,19,20,22);1H