[(3S)-1-[(5-ethylfuran-2-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(5-ethylfuran-2-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(5-ethyl-2-furyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(5-ethylfuran-2-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(5-ethyl-2-furyl)methyl]-3-m-anisyl-piperidin-1-ium-3-yl]methanol Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)(CC3=CC(=CC=C3)OC)CO

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@](C2)(CC3=CC(=CC=C3)OC)CO

InChI

InChI=1S/C21H29NO3/c1-3-18-8-9-20(25-18)14-22-11-5-10-21(15-22,16-23)13-17-6-4-7-19(12-17)24-2/h4,6-9,12,23H,3,5,10-11,13-16H2,1-2H3/p+1/t21-/m0/s1