N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C21H23FN5O3+ MolecularWeight: 412.437423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CNC3=C2C=C(C=C3)F)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CNC3=C2C=C(C=C3)F)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN5O3/c22-16-1-3-19-18(11-16)15(12-24-19)5-8-23-21(28)14-6-9-26(10-7-14)20-4-2-17(13-25-20)27(29)30/h1-4,11-14,24H,5-10H2,(H,23,28)/p+1