2-[6-azanyl-7-(2-cyanopyrrolidin-1-yl)-7-oxidanylidene-heptyl]-1-nitro-guanidine hydrochloride

Systemtic Name: 2-[6-azanyl-7-(2-cyanopyrrolidin-1-yl)-7-oxidanylidene-heptyl]-1-nitro-guanidine hydrochloride Openeye Name: 2-[6-amino-7-(2-cyanopyrrolidin-1-yl)-7-oxo-heptyl]-1-nitro-guanidine hydrochloride CAS Name: 2-[6-amino-7-(2-cyano-1-pyrrolidinyl)-7-oxoheptyl]-1-nitroguanidine hydrochloride IUPAC Name: 2-[6-amino-7-(2-cyanopyrrolidin-1-yl)-7-oxoheptyl]-1-nitroguanidine hydrochloride Traditional Name: 2-[6-amino-7-(2-cyanopyrrolidino)-7-keto-heptyl]-1-nitro-guanidine hydrochloride Formula: C13H24ClN7O3 MolecularWeight: 361.82776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N7O3.ClH/c14-9-10-5-4-8-19(10)12(21)11(15)6-2-1-3-7-17-13(16)18-20(22)23;/h10-11H,1-8,15H2,(H3,16,17,18);1H