2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-methyl-1-piperazine-1,4-diiumyl)-1-[4-(2-quinolin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-quinolin-1-ium-2-ylpiperazino)ethanone Formula: C20H30N5O+3 MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H27N5O/c1-22-8-10-23(11-9-22)16-20(26)25-14-12-24(13-15-25)19-7-6-17-4-2-3-5-18(17)21-19/h2-7H,8-16H2,1H3/p+3