2-[[2-(dimethylamino)-5,6,7-trimethoxy-quinolin-1-ium-3-yl]methyl-(2-thiophen-3-ylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5,6,7-trimethoxy-quinolin-1-ium-3-yl]methyl-(2-thiophen-3-ylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5,6,7-trimethoxy-quinolin-1-ium-3-yl]methyl-[2-(3-thienyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5,6,7-trimethoxy-3-quinolin-1-iumyl]methyl-[1-oxo-2-(3-thiophenyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-1-ium-3-yl]methyl-(2-thiophen-3-ylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5,6,7-trimethoxy-quinolin-1-ium-3-yl]methyl-[2-(3-thienyl)acetyl]amino]ethyl-dimethyl-ammonium Formula: C25H36N4O4S+2 MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=C([NH+]=C2C=C(C(=C(C2=C1)OC)OC)OC)N(C)C)C(=O)CC3=CSC=C3

Isomeric SMILES

C[NH+](C)CCN(CC1=C([NH+]=C2C=C(C(=C(C2=C1)OC)OC)OC)N(C)C)C(=O)CC3=CSC=C3

InChI

InChI=1S/C25H34N4O4S/c1-27(2)9-10-29(22(30)12-17-8-11-34-16-17)15-18-13-19-20(26-25(18)28(3)4)14-21(31-5)24(33-7)23(19)32-6/h8,11,13-14,16H,9-10,12,15H2,1-7H3/p+2