(3S)-N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-4-ylmethyl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NCC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NCC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C20H23FN2O2/c21-18-8-2-1-5-16(18)12-23-10-4-7-17(13-23)22-11-15-6-3-9-19-20(15)25-14-24-19/h1-3,5-6,8-9,17,22H,4,7,10-14H2/p+1/t17-/m0/s1