4-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-4-oxo-butanamide CAS Name: 4-(4-fluorophenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-4-oxobutanamide IUPAC Name: 4-(4-fluorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-4-oxobutanamide Traditional Name: 4-(4-fluorophenyl)-4-keto-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]butyramide Formula: C21H31FN3O2+ MolecularWeight: 376.488143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)NC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)NC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O2/c1-24-13-10-19(11-14-24)25-12-2-3-18(15-25)23-21(27)9-8-20(26)16-4-6-17(22)7-5-16/h4-7,18-19H,2-3,8-15H2,1H3,(H,23,27)/p+1/t18-/m0/s1