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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(4-ethylphenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-(4-ethylbenzyl)-homopiperonyl-ammonium Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)OCC

InChI

InChI=1S/C27H31NO3/c1-3-21-5-7-23(8-6-21)18-28(19-24-9-12-25(13-10-24)29-4-2)16-15-22-11-14-26-27(17-22)31-20-30-26/h5-14,17H,3-4,15-16,18-20H2,1-2H3/p+1