1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C25H34N4O2+2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H32N4O2/c1-5-31-20-9-10-22-21(16-20)19(2)17-25(3,4)29(22)24(30)18-27-12-14-28(15-13-27)23-8-6-7-11-26-23/h6-11,16-17H,5,12-15,18H2,1-4H3/p+2