(3S)-N-(1,3-benzodioxol-5-yl)-1-[(4-fluoranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(4-fluoranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(4-fluoro-2-methoxy-phenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(4-fluoro-2-methoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(4-fluoro-2-methoxy-benzyl)piperidin-1-ium-3-yl]amine Formula: C20H24FN2O3+ MolecularWeight: 359.414563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)F)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23FN2O3/c1-24-19-9-15(21)5-4-14(19)11-23-8-2-3-17(12-23)22-16-6-7-18-20(10-16)26-13-25-18/h4-7,9-10,17,22H,2-3,8,11-13H2,1H3/p+1/t17-/m0/s1