[3-[[4-fluoranyl-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methylcarbamoyl]phenyl]methyl-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: [3-[[4-fluoranyl-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methylcarbamoyl]phenyl]methyl-trimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: [3-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methylcarbamoyl]phenyl]methyl-trimethyl-ammonium; 2,2,2-trifluoroacetic acid CAS Name: [3-[[[4-fluoro-3-[3-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]phenyl]methylamino]-oxomethyl]phenyl]methyl-trimethylammonium; 2,2,2-trifluoroacetic acid IUPAC Name: [3-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methylcarbamoyl]phenyl]methyl-trimethylazanium; 2,2,2-trifluoroacetic acid Traditional Name: [3-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazino]methyl]phenyl]benzyl]carbamoyl]benzyl]-trimethyl-ammonium; 2,2,2-trifluoroacetic acid Formula: C34H40F7N4O5+ MolecularWeight: 717.694022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC(=CC=C4)C[N+](C)(C)C)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=CC=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC(=CC=C4)C[N+](C)(C)C)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H37FN4O.2C2HF3O2/c1-22-19-34(14-13-32-22)20-24-7-5-9-26(15-24)28-17-23(11-12-29(28)31)18-33-30(36)27-10-6-8-25(16-27)21-35(2,3)4;2*3-2(4,5)1(6)7/h5-12,15-17,22,32H,13-14,18-21H2,1-4H3;2*(H,6,7)/p+1/t22-;;/m0../s1