N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]quinoline-5-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]quinoline-5-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]quinoline-5-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-5-quinolinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]quinoline-5-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]quinoline-5-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)18-10-8-17(9-11-18)24-22(27)20-5-3-7-21-19(20)6-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,27)/p+1