(3S)-1-(1-benzofuran-2-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(1-benzofuran-2-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(benzofuran-2-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2-benzofuranylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1-benzofuran-2-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H24N2O3/c1-2-6-20-16(4-1)12-19(27-20)15-24-9-3-5-18(14-24)23-17-7-8-21-22(13-17)26-11-10-25-21/h1-2,4,6-8,12-13,18,23H,3,5,9-11,14-15H2/p+1/t18-/m0/s1