2-[4-azanyl-5-(2-cyanopyrrolidin-1-yl)-5-oxidanylidene-pentyl]-1-nitro-guanidine hydrochloride

Systemtic Name: 2-[4-azanyl-5-(2-cyanopyrrolidin-1-yl)-5-oxidanylidene-pentyl]-1-nitro-guanidine hydrochloride Openeye Name: 2-[4-amino-5-(2-cyanopyrrolidin-1-yl)-5-oxo-pentyl]-1-nitro-guanidine hydrochloride CAS Name: 2-[4-amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]-1-nitroguanidine hydrochloride IUPAC Name: 2-[4-amino-5-(2-cyanopyrrolidin-1-yl)-5-oxopentyl]-1-nitroguanidine hydrochloride Traditional Name: 2-[4-amino-5-(2-cyanopyrrolidino)-5-keto-pentyl]-1-nitro-guanidine hydrochloride Formula: C11H20ClN7O3 MolecularWeight: 333.7746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N7O3.ClH/c12-7-8-3-2-6-17(8)10(19)9(13)4-1-5-15-11(14)16-18(20)21;/h8-9H,1-6,13H2,(H3,14,15,16);1H