(3R)-3-methyl-1-(4-methylpiperazin-1-yl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione

Systemtic Name: (3R)-3-methyl-1-(4-methylpiperazin-1-yl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione Openeye Name: (3R)-3-methyl-1-(4-methylpiperazin-1-yl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione CAS Name: (3R)-3-methyl-1-(4-methyl-1-piperazinyl)-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentane-1,5-dione IUPAC Name: (3R)-3-methyl-1-(4-methylpiperazin-1-yl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione Traditional Name: (3R)-3-methyl-1-(4-methylpiperazino)-5-(4-pyridin-1-ium-2-ylpiperazino)pentane-1,5-dione Formula: C20H32N5O2+ MolecularWeight: 374.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](CC(=O)N1CCN(CC1)C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H31N5O2/c1-17(15-19(26)24-9-7-22(2)8-10-24)16-20(27)25-13-11-23(12-14-25)18-5-3-4-6-21-18/h3-6,17H,7-16H2,1-2H3/p+1/t17-/m1/s1