dimethyl-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]quinolin-2-yl]azanium

Systemtic Name: dimethyl-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]quinolin-2-yl]azanium Openeye Name: dimethyl-[4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-2-quinolyl]ammonium CAS Name: dimethyl-[4-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-2-quinolinyl]ammonium IUPAC Name: dimethyl-[4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]quinolin-2-yl]azanium Traditional Name: dimethyl-[4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-2-quinolyl]ammonium Formula: C18H28N5O+3 MolecularWeight: 330.44782

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=NC3=CC=CC=C32)[NH+](C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=NC3=CC=CC=C32)[NH+](C)C

InChI

InChI=1S/C18H25N5O/c1-21(2)17-12-16(14-6-4-5-7-15(14)19-17)20-18(24)13-23-10-8-22(3)9-11-23/h4-7,12H,8-11,13H2,1-3H3,(H,19,20,24)/p+3