N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(2,6-dimethyl-1-piperidin-1-iumyl)ethyl]-2-[(4-ethylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-[(4-ethylphenyl)thio]cinchoninamide Formula: C27H34N3OS+ MolecularWeight: 448.64336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4C(CCCC4C)C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4C(CCCC4C)C

InChI

InChI=1S/C27H33N3OS/c1-4-21-12-14-22(15-13-21)32-26-18-24(23-10-5-6-11-25(23)29-26)27(31)28-16-17-30-19(2)8-7-9-20(30)3/h5-6,10-15,18-20H,4,7-9,16-17H2,1-3H3,(H,28,31)/p+1