(3S)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C25H32FN4O2+ MolecularWeight: 439.545583

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN4O2/c1-2-28-14-16-29(17-15-28)23-8-4-3-7-22(23)27-24(31)20-6-5-13-30(18-20)25(32)19-9-11-21(26)12-10-19/h3-4,7-12,20H,2,5-6,13-18H2,1H3,(H,27,31)/p+1/t20-/m0/s1