methyl 4-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinoline-3-carboxylic acid methyl ester Formula: C18H25N3O2+2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-13-14-6-4-5-7-15(14)19-16(17(13)18(22)23-3)12-21-10-8-20(2)9-11-21/h4-7H,8-12H2,1-3H3/p+2