3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(4-fluorophenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(4-fluorobenzyl)piperidin-1-ium-3-yl]methanone Formula: C22H26FN2O+ MolecularWeight: 353.453043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)F)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)F)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25FN2O/c23-21-9-7-17(8-10-21)14-24-12-3-6-20(15-24)22(26)25-13-11-18-4-1-2-5-19(18)16-25/h1-2,4-5,7-10,20H,3,6,11-16H2/p+1/t20-/m0/s1