3,5,7-trimethyladamantane-1-carbonitrile; 3,5,7-trimethyladamantane-1-carboximidamide; hydrochloride

Systemtic Name: 3,5,7-trimethyladamantane-1-carbonitrile; 3,5,7-trimethyladamantane-1-carboximidamide; hydrochloride Openeye Name: 3,5,7-trimethyladamantane-1-carbonitrile; 3,5,7-trimethyladamantane-1-carboxamidine; hydrochloride CAS Name: 3,5,7-trimethyl-1-adamantanecarbonitrile; 3,5,7-trimethyl-1-adamantanecarboximidamide; hydrochloride IUPAC Name: 3,5,7-trimethyladamantane-1-carbonitrile; 3,5,7-trimethyladamantane-1-carboximidamide; hydrochloride Traditional Name: 3,5,7-trimethyladamantane-1-carbonitrile; 3,5,7-trimethyladamantane-1-carboxamidine; hydrochloride Formula: C28H46ClN3 MolecularWeight: 460.13794

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C#N)C)C.CC12CC3(CC(C1)(CC(C2)(C3)C(=N)N)C)C.Cl

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C#N)C)C.CC12CC3(CC(C1)(CC(C2)(C3)C(=N)N)C)C.Cl

InChI

InChI=1S/C14H24N2.C14H21N.ClH/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16;1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10-15;/h4-9H2,1-3H3,(H3,15,16);4-9H2,1-3H3;1H