2-(6-aminopurin-9-yl)ethyl-dodecyl-dimethyl-azanium hydrochloride

Systemtic Name: 2-(6-aminopurin-9-yl)ethyl-dodecyl-dimethyl-azanium hydrochloride Openeye Name: 2-(6-aminopurin-9-yl)ethyl-dodecyl-dimethyl-ammonium hydrochloride CAS Name: 2-(6-aminopurin-9-yl)ethyl-dodecyl-dimethylammonium hydrochloride IUPAC Name: 2-(6-aminopurin-9-yl)ethyl-dodecyl-dimethylazanium hydrochloride Traditional Name: 2-adenin-9-ylethyl-lauryl-dimethyl-ammonium hydrochloride Formula: C21H40ClN6+ MolecularWeight: 412.0355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCN1C=NC2=C1N=CN=C2N.Cl

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCN1C=NC2=C1N=CN=C2N.Cl

InChI

InChI=1S/C21H39N6.ClH/c1-4-5-6-7-8-9-10-11-12-13-15-27(2,3)16-14-26-18-25-19-20(22)23-17-24-21(19)26;/h17-18H,4-16H2,1-3H3,(H2,22,23,24);1H/q+1;