N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-(3-thienyl)acetamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-3-quinolin-1-iumyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-1-ium-3-yl]methyl]-2-thiophen-3-ylacetamide Traditional Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-2-(3-thienyl)acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)CC4=CSC=C4)N(C)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)CC4=CSC=C4)N(C)C

InChI

InChI=1S/C22H25N3OS/c1-15-4-5-17-12-18(22(24(2)3)23-20(17)10-15)13-25(19-6-7-19)21(26)11-16-8-9-27-14-16/h4-5,8-10,12,14,19H,6-7,11,13H2,1-3H3/p+1