methyl 4-methyl-2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

InChI=1S/C25H31N5O2/c1-16(2)24-26-17(3)14-22(28-24)30-12-10-29(11-13-30)15-21-23(25(31)32-5)18(4)19-8-6-7-9-20(19)27-21/h6-9,14,16H,10-13,15H2,1-5H3/p+1