[(3S)-1-[(3-fluorophenyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(3-fluorophenyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(3-fluorophenyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(3-fluoroanilino)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(3-fluorophenyl)carbamoyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(3-fluorophenyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O/c1-24(14-12-17-7-3-2-4-8-17)20-11-6-13-25(16-20)21(26)23-19-10-5-9-18(22)15-19/h2-5,7-10,15,20H,6,11-14,16H2,1H3,(H,23,26)/p+1/t20-/m0/s1