N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-fluoranyl-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-fluoro-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-fluorobenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-fluoro-benzamide Formula: C22H31FN4O+2 MolecularWeight: 386.506143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H29FN4O/c1-25(2)20-9-7-17(8-10-20)21(27-13-11-26(3)12-14-27)16-24-22(28)18-5-4-6-19(23)15-18/h4-10,15,21H,11-14,16H2,1-3H3,(H,24,28)/p+2/t21-/m1/s1