2-[5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]-1-nitro-guanidine hydrochloride

Systemtic Name: 2-[5-azanyl-6-(2-cyanopyrrolidin-1-yl)-6-oxidanylidene-hexyl]-1-nitro-guanidine hydrochloride Openeye Name: 2-[5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxo-hexyl]-1-nitro-guanidine hydrochloride CAS Name: 2-[5-amino-6-(2-cyano-1-pyrrolidinyl)-6-oxohexyl]-1-nitroguanidine hydrochloride IUPAC Name: 2-[5-amino-6-(2-cyanopyrrolidin-1-yl)-6-oxohexyl]-1-nitroguanidine hydrochloride Traditional Name: 2-[5-amino-6-(2-cyanopyrrolidino)-6-keto-hexyl]-1-nitro-guanidine hydrochloride Formula: C12H22ClN7O3 MolecularWeight: 347.80118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN=C(N)N[N+](=O)[O-])N)C#N.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN=C(N)N[N+](=O)[O-])N)C#N.Cl

InChI

InChI=1S/C12H21N7O3.ClH/c13-8-9-4-3-7-18(9)11(20)10(14)5-1-2-6-16-12(15)17-19(21)22;/h9-10H,1-7,14H2,(H3,15,16,17);1H