2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-(4-nitrobenzyl)ammonium Formula: C25H27N2O5+ MolecularWeight: 435.49228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O5/c1-2-30-23-10-5-21(6-11-23)17-26(16-20-3-8-22(9-4-20)27(28)29)14-13-19-7-12-24-25(15-19)32-18-31-24/h3-12,15H,2,13-14,16-18H2,1H3/p+1