(6-ethoxy-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C21H23N2O3S+ MolecularWeight: 383.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C[NH+](CC3=CN=CC=C3)CC4=CC=CS4)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C[NH+](CC3=CN=CC=C3)CC4=CC=CS4)OCO2

InChI

InChI=1S/C21H22N2O3S/c1-2-24-19-10-21-20(25-15-26-21)9-17(19)13-23(14-18-6-4-8-27-18)12-16-5-3-7-22-11-16/h3-11H,2,12-15H2,1H3/p+1