4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-methyl-quinoline-8-carboxylic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-methyl-quinoline-8-carboxylic acid Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methyl-quinoline-8-carboxylic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-methyl-8-quinolinecarboxylic acid IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methylquinoline-8-carboxylic acid Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methyl-quinoline-8-carboxylic acid Formula: C28H28N3O2+ MolecularWeight: 438.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C(=O)O)C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=CC=C2C(=O)O)C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-20-19-25(23-13-8-14-24(28(32)33)26(23)29-20)30-15-17-31(18-16-30)27(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,27H,15-18H2,1H3,(H,32,33)/p+1