[2-[4-(3-chlorophenyl)piperazin-1-yl]-7-fluoranyl-quinolin-1-ium-3-yl]methyl-cyclopropyl-azanium

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-7-fluoranyl-quinolin-1-ium-3-yl]methyl-cyclopropyl-azanium Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-7-fluoro-quinolin-1-ium-3-yl]methyl-cyclopropyl-ammonium CAS Name: [2-[4-(3-chlorophenyl)-1-piperazinyl]-7-fluoro-3-quinolin-1-iumyl]methyl-cyclopropylammonium IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-7-fluoroquinolin-1-ium-3-yl]methyl-cyclopropylazanium Traditional Name: [2-[4-(3-chlorophenyl)piperazino]-7-fluoro-quinolin-1-ium-3-yl]methyl-cyclopropyl-ammonium Formula: C23H26ClFN4+2 MolecularWeight: 412.930743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH2+]CC2=C([NH+]=C3C=C(C=CC3=C2)F)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC1[NH2+]CC2=C([NH+]=C3C=C(C=CC3=C2)F)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H24ClFN4/c24-18-2-1-3-21(13-18)28-8-10-29(11-9-28)23-17(15-26-20-6-7-20)12-16-4-5-19(25)14-22(16)27-23/h1-5,12-14,20,26H,6-11,15H2/p+2