4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methoxy-quinoline-3-carboxylic acid Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methoxy-quinoline-3-carboxylic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-methoxy-3-quinolinecarboxylic acid IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methoxyquinoline-3-carboxylic acid Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-methoxy-quinoline-3-carboxylic acid Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)C(=O)O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)C(=O)O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c1-34-22-12-13-25-23(18-22)27(24(19-29-25)28(32)33)31-16-14-30(15-17-31)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,26H,14-17H2,1H3,(H,32,33)/p+1