2-(3,4-dimethoxyphenyl)ethyl-[(7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[7-methoxy-2-(3-thienyl)-3-quinolyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[7-methoxy-2-(3-thiophenyl)-3-quinolinyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]azanium Traditional Name: homoveratryl-[[7-methoxy-2-(3-thienyl)-3-quinolyl]methyl]ammonium Formula: C25H27N2O3S+ MolecularWeight: 435.55848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)C4=CSC=C4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)C4=CSC=C4

InChI

InChI=1S/C25H26N2O3S/c1-28-21-6-5-18-13-20(25(27-22(18)14-21)19-9-11-31-16-19)15-26-10-8-17-4-7-23(29-2)24(12-17)30-3/h4-7,9,11-14,16,26H,8,10,15H2,1-3H3/p+1