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

Systemtic Name: methyl 4-methyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H29N3O2+2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-18-20-10-6-7-11-21(20)25-22(23(18)24(28)29-2)17-27-14-12-26(13-15-27)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3/p+2