2-cyanoethyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-methylammonium IUPAC Name: 2-cyanoethyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-methylazanium Traditional Name: 2-cyanoethyl-[2-(cyclohexylamino)-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]-methyl-ammonium Formula: C19H25N4O5+ MolecularWeight: 389.4256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=O)NC3CCCCC3

Isomeric SMILES

C[NH+](CCC#N)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=O)NC3CCCCC3

InChI

InChI=1S/C19H24N4O5/c1-22(9-5-8-20)18(19(24)21-13-6-3-2-4-7-13)14-10-16-17(28-12-27-16)11-15(14)23(25)26/h10-11,13,18H,2-7,9,12H2,1H3,(H,21,24)/p+1