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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]-(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]-benzyl-(2-ethoxy-2-oxo-ethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-(2-ethoxy-2-oxoethyl)-(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-benzyl-(2-ethoxy-2-oxoethyl)azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]-benzyl-(2-ethoxy-2-keto-ethyl)ammonium Formula: C26H27N2O5+ MolecularWeight: 447.50298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](CC1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C[NH+](CC1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H26N2O5/c1-2-31-24(29)17-28(16-19-9-5-3-6-10-19)25(20-11-7-4-8-12-20)26(30)27-21-13-14-22-23(15-21)33-18-32-22/h3-15,25H,2,16-18H2,1H3,(H,27,30)/p+1