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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(4-fluorophenyl)-4-oxidanylidene-butanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(4-fluorophenyl)-4-oxo-butanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-4-(4-fluorophenyl)-4-oxobutanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(4-fluorophenyl)-4-oxobutanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(4-fluorophenyl)-4-keto-butyramide Formula: C22H32FN2O2+ MolecularWeight: 375.500083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H31FN2O2/c23-18-11-9-17(10-12-18)21(26)13-14-22(27)24-19-6-5-15-25(16-19)20-7-3-1-2-4-8-20/h9-12,19-20H,1-8,13-16H2,(H,24,27)/p+1/t19-/m0/s1