N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-4-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C25H35FN4O+2 MolecularWeight: 426.570003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)N(C)C3CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H33FN4O/c1-27-14-16-30(17-15-27)22-11-9-20(10-12-22)25(31)28(2)23-7-5-13-29(19-23)18-21-6-3-4-8-24(21)26/h3-4,6,8-12,23H,5,7,13-19H2,1-2H3/p+2/t23-/m0/s1