6-methyl-2-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 6-methyl-2-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 6-methyl-2-(5-methyl-2-thienyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 6-methyl-2-(5-methyl-2-thiophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 6-methyl-2-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 6-methyl-2-(5-methyl-2-thienyl)-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC=C(S4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC=C(S4)C

InChI

InChI=1S/C22H25N3O2S/c1-15-3-5-19-17(13-15)18(14-20(24-19)21-6-4-16(2)28-21)22(26)23-7-8-25-9-11-27-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)/p+1