(1-tert-butylpyrrol-3-yl)methyl-[(2S,3R)-2-(2-fluorophenyl)-6-oxidanylidene-piperidin-3-yl]azanium

Systemtic Name: (1-tert-butylpyrrol-3-yl)methyl-[(2S,3R)-2-(2-fluorophenyl)-6-oxidanylidene-piperidin-3-yl]azanium Openeye Name: (1-tert-butylpyrrol-3-yl)methyl-[(2S,3R)-2-(2-fluorophenyl)-6-oxo-3-piperidyl]ammonium CAS Name: (1-tert-butyl-3-pyrrolyl)methyl-[(2S,3R)-2-(2-fluorophenyl)-6-oxo-3-piperidinyl]ammonium IUPAC Name: (1-tert-butylpyrrol-3-yl)methyl-[(2S,3R)-2-(2-fluorophenyl)-6-oxopiperidin-3-yl]azanium Traditional Name: (1-tert-butylpyrrol-3-yl)methyl-[(2S,3R)-2-(2-fluorophenyl)-6-keto-3-piperidyl]ammonium Formula: C20H27FN3O+ MolecularWeight: 344.446283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC(=C1)C[NH2+]C2CCC(=O)NC2C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)N1C=CC(=C1)C[NH2+][C@@H]2CCC(=O)N[C@H]2C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3O/c1-20(2,3)24-11-10-14(13-24)12-22-17-8-9-18(25)23-19(17)15-6-4-5-7-16(15)21/h4-7,10-11,13,17,19,22H,8-9,12H2,1-3H3,(H,23,25)/p+1/t17-,19+/m1/s1