4-[(2Z)-2-(azepan-1-ium-2-ylidene)-2-nitro-ethyl]morpholin-4-ium

Systemtic Name: 4-[(2Z)-2-(azepan-1-ium-2-ylidene)-2-nitro-ethyl]morpholin-4-ium Openeye Name: 4-[(2Z)-2-(azepan-1-ium-2-ylidene)-2-nitro-ethyl]morpholin-4-ium CAS Name: 4-[(2Z)-2-(2-azepan-1-iumylidene)-2-nitroethyl]morpholin-4-ium IUPAC Name: 4-[(2Z)-2-(azepan-1-ium-2-ylidene)-2-nitroethyl]morpholin-4-ium Traditional Name: 4-[(2Z)-2-(azepan-1-ium-2-ylidene)-2-nitro-ethyl]morpholin-4-ium Formula: C12H23N3O3+2 MolecularWeight: 257.32932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C[NH+]2CCOCC2)[N+](=O)[O-])[NH2+]CC1

Isomeric SMILES

C1CC/C(=C(\C[NH+]2CCOCC2)/[N+](=O)[O-])/[NH2+]CC1

InChI

InChI=1S/C12H21N3O3/c16-15(17)12(10-14-6-8-18-9-7-14)11-4-2-1-3-5-13-11/h13H,1-10H2/p+2/b12-11-