[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]-bis(phenylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]-bis(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]-dibenzyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-bis(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-dibenzylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]-dibenzyl-ammonium Formula: C29H27N2O3+ MolecularWeight: 451.53628

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O3/c32-29(30-25-16-17-26-27(18-25)34-21-33-26)28(24-14-8-3-9-15-24)31(19-22-10-4-1-5-11-22)20-23-12-6-2-7-13-23/h1-18,28H,19-21H2,(H,30,32)/p+1