9-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

Systemtic Name: 9-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid Openeye Name: 9-(4-benzylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid CAS Name: 9-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid IUPAC Name: 9-(4-benzylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid Traditional Name: 9-(4-benzylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C(C=CC(=C3)C(=O)O)N=C2C1)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=C(C=CC(=C3)C(=O)O)N=C2C1)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H25N3O2/c28-24(29)18-9-10-22-20(15-18)23(19-7-4-8-21(19)25-22)27-13-11-26(12-14-27)16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15H,4,7-8,11-14,16H2,(H,28,29)/p+1