N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-[(4-chlorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(4-chlorophenyl)thio]cinchoninamide Formula: C25H29ClN3OS+ MolecularWeight: 455.03526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3OS/c26-19-10-12-20(13-11-19)31-24-18-22(21-8-3-4-9-23(21)28-24)25(30)27-14-7-17-29-15-5-1-2-6-16-29/h3-4,8-13,18H,1-2,5-7,14-17H2,(H,27,30)/p+1