[N'-(5-chloranyl-2-prop-2-ynoxy-phenyl)carbonylcarbamimidoyl]-cyclooctyl-azanium chloride

Systemtic Name: [N'-(5-chloranyl-2-prop-2-ynoxy-phenyl)carbonylcarbamimidoyl]-cyclooctyl-azanium chloride Openeye Name: [N'-(5-chloro-2-prop-2-ynoxy-benzoyl)carbamimidoyl]-cyclooctyl-ammonium chloride CAS Name: [amino-[(5-chloro-2-prop-2-ynoxyphenyl)-oxomethyl]iminomethyl]-cyclooctylammonium chloride IUPAC Name: [N'-(5-chloro-2-prop-2-ynoxybenzoyl)carbamimidoyl]-cyclooctylazanium chloride Traditional Name: [N'-(5-chloro-2-propargyloxy-benzoyl)amidino]-cyclooctyl-ammonium chloride Formula: C19H25Cl2N3O2 MolecularWeight: 398.3267

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Cl)C(=O)N=C(N)[NH2+]C2CCCCCCC2.[Cl-]

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Cl)C(=O)N=C(N)[NH2+]C2CCCCCCC2.[Cl-]

InChI

InChI=1S/C19H24ClN3O2.ClH/c1-2-12-25-17-11-10-14(20)13-16(17)18(24)23-19(21)22-15-8-6-4-3-5-7-9-15;/h1,10-11,13,15H,3-9,12H2,(H3,21,22,23,24);1H