2-[2-cyclopentylethanoyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-cyclopentylethanoyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-cyclopentylacetyl)-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(2-cyclopentyl-1-oxoethyl)-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-cyclopentylacetyl)-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-cyclopentylacetyl)-[[7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl]amino]ethyl-dimethyl-ammonium Formula: C26H34N3OS2+ MolecularWeight: 468.69766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=CS3)C(=O)CC4CCCC4

Isomeric SMILES

C[NH+](C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=CS3)C(=O)CC4CCCC4

InChI

InChI=1S/C26H33N3OS2/c1-28(2)12-13-29(25(30)15-19-7-4-5-8-19)18-21-16-20-10-11-22(31-3)17-23(20)27-26(21)24-9-6-14-32-24/h6,9-11,14,16-17,19H,4-5,7-8,12-13,15,18H2,1-3H3/p+1