3-azanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-b]quinoline-2-carboxamide Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC5=CC=CC=C5N=C4S3)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC5=CC=CC=C5N=C4S3)N

InChI

InChI=1S/C24H25N5OS/c1-2-28-11-13-29(14-12-28)18-9-7-17(8-10-18)26-23(30)22-21(25)19-15-16-5-3-4-6-20(16)27-24(19)31-22/h3-10,15H,2,11-14,25H2,1H3,(H,26,30)/p+1