4-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[4-[2-(3-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[4-[2-(3-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[4-[2-(3-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C25H31FN5O3+ MolecularWeight: 468.543743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H30FN5O3/c26-20-5-4-8-22(17-20)27-23(32)18-29-13-15-30(16-14-29)24(33)19-9-11-31(12-10-19)25(34)28-21-6-2-1-3-7-21/h1-8,17,19H,9-16,18H2,(H,27,32)(H,28,34)/p+1