[4-methoxy-3-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium

Systemtic Name: [4-methoxy-3-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Openeye Name: [3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-[(5-methyl-2-furanyl)methyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Traditional Name: [3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C23H36N2O4+2 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+](C)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+](C)CC2=CC(=C(C=C2)OC)OC[C@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H34N2O4/c1-18-7-9-21(29-18)16-24(2)14-19-8-10-22(27-3)23(13-19)28-17-20(26)15-25-11-5-4-6-12-25/h7-10,13,20,26H,4-6,11-12,14-17H2,1-3H3/p+2/t20-/m0/s1