N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-3-quinolin-1-iumyl]methyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-1-ium-3-yl]methyl]-5-methylthiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-[[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide 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)C4=CC=C(S4)C)N(C)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CC=C(S4)C)N(C)C

InChI

InChI=1S/C22H25N3OS/c1-14-5-7-16-12-17(21(24(3)4)23-19(16)11-14)13-25(18-8-9-18)22(26)20-10-6-15(2)27-20/h5-7,10-12,18H,8-9,13H2,1-4H3/p+1