N-[(4S)-2,2-dimethyloxan-4-yl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide

Systemtic Name: N-[(4S)-2,2-dimethyloxan-4-yl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide Openeye Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide CAS Name: N-[(4S)-2,2-dimethyl-4-oxanyl]-2-(4-ethyl-1-piperazin-4-iumyl)-6-(4-fluorophenyl)-3-pyridinecarboxamide IUPAC Name: N-[(4S)-2,2-dimethyloxan-4-yl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide Traditional Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)nicotinamide Formula: C25H34FN4O2+ MolecularWeight: 441.561463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)F)C(=O)NC4CCOC(C4)(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)F)C(=O)N[C@H]4CCOC(C4)(C)C

InChI

InChI=1S/C25H33FN4O2/c1-4-29-12-14-30(15-13-29)23-21(24(31)27-20-11-16-32-25(2,3)17-20)9-10-22(28-23)18-5-7-19(26)8-6-18/h5-10,20H,4,11-17H2,1-3H3,(H,27,31)/p+1/t20-/m0/s1