(3S)-1-(4-fluorophenyl)carbonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorobenzoyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorobenzoyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]nipecotamide Formula: C24H30FN4O2+ MolecularWeight: 425.519003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H29FN4O2/c1-27-13-15-28(16-14-27)22-10-8-21(9-11-22)26-23(30)19-3-2-12-29(17-19)24(31)18-4-6-20(25)7-5-18/h4-11,19H,2-3,12-17H2,1H3,(H,26,30)/p+1/t19-/m0/s1