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

Systemtic Name: [2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(cyclohexylamino)-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]-methyl-ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4

InChI

InChI=1S/C23H27N3O5/c1-25(14-16-8-4-2-5-9-16)22(23(27)24-17-10-6-3-7-11-17)18-12-20-21(31-15-30-20)13-19(18)26(28)29/h2,4-5,8-9,12-13,17,22H,3,6-7,10-11,14-15H2,1H3,(H,24,27)/p+1