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

Systemtic Name: methyl 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]quinoline-3-carboxylic acid methyl ester Formula: C25H31N3O3+2 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C25H29N3O3/c1-18-21-6-4-5-7-22(21)26-23(24(18)25(29)31-3)17-28-14-12-27(13-15-28)16-19-8-10-20(30-2)11-9-19/h4-11H,12-17H2,1-3H3/p+2