methyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylic acid methyl ester Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=NC=CC=N4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=NC=CC=N4)C(=O)OC

InChI

InChI=1S/C21H23N5O2/c1-15-16-6-3-4-7-17(16)24-18(19(15)20(27)28-2)14-25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9H,10-14H2,1-2H3/p+1