3-chloranyladamantane-1-carbonitrile; 3-chloranyladamantane-1-carboximidamide; hydrochloride

Systemtic Name: 3-chloranyladamantane-1-carbonitrile; 3-chloranyladamantane-1-carboximidamide; hydrochloride Openeye Name: 3-chloroadamantane-1-carbonitrile; 3-chloroadamantane-1-carboxamidine; hydrochloride CAS Name: 3-chloro-1-adamantanecarbonitrile; 3-chloro-1-adamantanecarboximidamide; hydrochloride IUPAC Name: 3-chloroadamantane-1-carbonitrile; 3-chloroadamantane-1-carboximidamide; hydrochloride Traditional Name: 3-chloroadamantane-1-carbonitrile; 3-chloroadamantane-1-carboxamidine; hydrochloride Formula: C22H32Cl3N3 MolecularWeight: 444.86858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C#N.C1C2CC3(CC1CC(C2)(C3)Cl)C(=N)N.Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C#N.C1C2CC3(CC1CC(C2)(C3)Cl)C(=N)N.Cl

InChI

InChI=1S/C11H17ClN2.C11H14ClN.ClH/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14;12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13;/h7-8H,1-6H2,(H3,13,14);8-9H,1-6H2;1H