2-cyanoethyl-[4-[[(1S,2S,4R)-2-cyano-4-nitro-cyclohexyl]diazenyl]cyclohexyl]-ethyl-azanium

Systemtic Name: 2-cyanoethyl-[4-[[(1S,2S,4R)-2-cyano-4-nitro-cyclohexyl]diazenyl]cyclohexyl]-ethyl-azanium Openeye Name: 2-cyanoethyl-[4-[(1S,2S,4R)-2-cyano-4-nitro-cyclohexyl]azocyclohexyl]-ethyl-ammonium CAS Name: 2-cyanoethyl-[4-[(1S,2S,4R)-2-cyano-4-nitrocyclohexyl]azocyclohexyl]-ethylammonium IUPAC Name: 2-cyanoethyl-[4-[[(1S,2S,4R)-2-cyano-4-nitrocyclohexyl]diazenyl]cyclohexyl]-ethylazanium Traditional Name: 2-cyanoethyl-[4-[(1S,2S,4R)-2-cyano-4-nitro-cyclohexyl]azocyclohexyl]-ethyl-ammonium Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC#N)C1CCC(CC1)N=NC2CCC(CC2C#N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CCC#N)C1CCC(CC1)N=N[C@H]2CC[C@H](C[C@@H]2C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H28N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h14-18H,2-9,11-12H2,1H3/p+1/t14-,15?,16?,17-,18+/m1/s1