2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)(C)C

InChI

InChI=1S/C25H31N3O2/c1-19-17-25(2,3)28(23-11-6-5-10-22(19)23)24(29)18-26-12-14-27(15-13-26)20-8-7-9-21(16-20)30-4/h5-11,16-17H,12-15,18H2,1-4H3/p+1