3-[[(1,1-dimethylpyrrolidin-1-ium-3-yl)-methyl-amino]methyl]-N-[[4-fluoranyl-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide

Systemtic Name: 3-[[(1,1-dimethylpyrrolidin-1-ium-3-yl)-methyl-amino]methyl]-N-[[4-fluoranyl-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide Openeye Name: 3-[[(1,1-dimethylpyrrolidin-1-ium-3-yl)-methyl-amino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide CAS Name: 3-[[(1,1-dimethyl-3-pyrrolidin-1-iumyl)-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]phenyl]methyl]benzamide IUPAC Name: 3-[[(1,1-dimethylpyrrolidin-1-ium-3-yl)-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide Traditional Name: 3-[[(1,1-dimethylpyrrolidin-1-ium-3-yl)-methyl-amino]methyl]-N-[4-fluoro-3-[3-[[(3S)-3-methylpiperazino]methyl]phenyl]benzyl]benzamide Formula: C34H45FN5O+ MolecularWeight: 558.752403

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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)CN(C)C5CC[N+](C5)(C)C)F

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=CC=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC(=CC=C4)CN(C)C5CC[N+](C5)(C)C)F

InChI

InChI=1S/C34H44FN5O/c1-25-21-39(15-14-36-25)23-28-8-5-9-29(17-28)32-19-26(11-12-33(32)35)20-37-34(41)30-10-6-7-27(18-30)22-38(2)31-13-16-40(3,4)24-31/h5-12,17-19,25,31,36H,13-16,20-24H2,1-4H3/p+1/t25-,31?/m0/s1