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

Systemtic Name: [2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]ammonium CAS Name: [2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]azanium Traditional Name: dibenzyl-[2-(cyclohexylamino)-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]ammonium Formula: C29H32N3O5+ MolecularWeight: 502.58148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O5/c33-29(30-23-14-8-3-9-15-23)28(24-16-26-27(37-20-36-26)17-25(24)32(34)35)31(18-21-10-4-1-5-11-21)19-22-12-6-2-7-13-22/h1-2,4-7,10-13,16-17,23,28H,3,8-9,14-15,18-20H2,(H,30,33)/p+1