3-methyladamantane-1-carbonitrile; 3-methyladamantane-1-carboximidamide; hydrochloride

Systemtic Name: 3-methyladamantane-1-carbonitrile; 3-methyladamantane-1-carboximidamide; hydrochloride Openeye Name: 3-methyladamantane-1-carbonitrile; 3-methyladamantane-1-carboxamidine; hydrochloride CAS Name: 3-methyl-1-adamantanecarbonitrile; 3-methyl-1-adamantanecarboximidamide; hydrochloride IUPAC Name: 3-methyladamantane-1-carbonitrile; 3-methyladamantane-1-carboximidamide; hydrochloride Traditional Name: 3-methyladamantane-1-carbonitrile; 3-methyladamantane-1-carboxamidine; hydrochloride Formula: C24H38ClN3 MolecularWeight: 404.03162

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C#N.CC12CC3CC(C1)CC(C3)(C2)C(=N)N.Cl

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C#N.CC12CC3CC(C1)CC(C3)(C2)C(=N)N.Cl

InChI

InChI=1S/C12H20N2.C12H17N.ClH/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14;1-11-3-9-2-10(4-11)6-12(5-9,7-11)8-13;/h8-9H,2-7H2,1H3,(H3,13,14);9-10H,2-7H2,1H3;1H