(4-ethylpiperazin-4-ium-1-yl)-[4-(3-phenylquinoxalin-2-yl)phenyl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(3-phenylquinoxalin-2-yl)phenyl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(3-phenylquinoxalin-2-yl)phenyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[4-(3-phenyl-2-quinoxalinyl)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(3-phenylquinoxalin-2-yl)phenyl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(3-phenylquinoxalin-2-yl)phenyl]methanone Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c1-2-30-16-18-31(19-17-30)27(32)22-14-12-21(13-15-22)26-25(20-8-4-3-5-9-20)28-23-10-6-7-11-24(23)29-26/h3-15H,2,16-19H2,1H3/p+1