1-benzothiophen-2-ylmethyl-[(6,7-dimethoxy-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[(6,7-dimethoxy-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-[[6,7-dimethoxy-2-(2-thienyl)-3-quinolyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[(6,7-dimethoxy-2-thiophen-2-yl-3-quinolinyl)methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(6,7-dimethoxy-2-thiophen-2-ylquinolin-3-yl)methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-[[6,7-dimethoxy-2-(2-thienyl)-3-quinolyl]methyl]ammonium Formula: C25H23N2O2S2+ MolecularWeight: 447.59232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1OC)C3=CC=CS3)C[NH2+]CC4=CC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1OC)C3=CC=CS3)C[NH2+]CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N2O2S2/c1-28-21-12-17-10-18(14-26-15-19-11-16-6-3-4-7-23(16)31-19)25(24-8-5-9-30-24)27-20(17)13-22(21)29-2/h3-13,26H,14-15H2,1-2H3/p+1