2-(3,4-dimethoxyphenyl)ethyl-[(8-methyl-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(8-methyl-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[8-methyl-2-(2-thienyl)-3-quinolyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(8-methyl-2-thiophen-2-yl-3-quinolinyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]azanium Traditional Name: homoveratryl-[[8-methyl-2-(2-thienyl)-3-quinolyl]methyl]ammonium Formula: C25H27N2O2S+ MolecularWeight: 419.55908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CS3)C[NH2+]CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CS3)C[NH2+]CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H26N2O2S/c1-17-6-4-7-19-15-20(25(27-24(17)19)23-8-5-13-30-23)16-26-12-11-18-9-10-21(28-2)22(14-18)29-3/h4-10,13-15,26H,11-12,16H2,1-3H3/p+1