1-(2,2,4,6,7-pentamethylquinolin-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,2,4,6,7-pentamethylquinolin-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,2,4,6,7-pentamethyl-1-quinolyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,2,4,6,7-pentamethyl-1-quinolinyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2,2,4,6,7-pentamethylquinolin-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,2,4,6,7-pentamethyl-1-quinolyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)(C)C)C)C

InChI

InChI=1S/C26H33N3O/c1-19-15-23-21(3)17-26(4,5)29(24(23)16-20(19)2)25(30)18-27-11-13-28(14-12-27)22-9-7-6-8-10-22/h6-10,15-17H,11-14,18H2,1-5H3/p+1