(3S)-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[[2-(5-methyl-2-furyl)phenyl]methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[[2-(5-methyl-2-furanyl)phenyl]methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [2-(5-methyl-2-furyl)benzyl]-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC=CC=C2CNC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(O1)C2=CC=CC=C2CN[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H27N3O/c1-18-11-12-23(27-18)22-10-3-2-7-19(22)15-25-21-9-6-14-26(17-21)16-20-8-4-5-13-24-20/h2-5,7-8,10-13,21,25H,6,9,14-17H2,1H3/p+1/t21-/m0/s1