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

Systemtic Name: methyl 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylic acid methyl ester Formula: C22H26N4O2+2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)OC

InChI

InChI=1S/C22H24N4O2/c1-16-17-7-3-4-8-18(17)24-19(21(16)22(27)28-2)15-25-11-13-26(14-12-25)20-9-5-6-10-23-20/h3-10H,11-15H2,1-2H3/p+2