[4-[[(3S)-1-(furan-2-ylcarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethyl-azanium

Systemtic Name: [4-[[(3S)-1-(furan-2-ylcarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethyl-azanium Openeye Name: [4-[[(3S)-1-(furan-2-carbonyl)-3-piperidyl]methoxy]phenyl]methyl-methyl-phenethyl-ammonium CAS Name: [4-[[(3S)-1-[2-furanyl(oxo)methyl]-3-piperidinyl]methoxy]phenyl]methyl-methyl-phenethylammonium IUPAC Name: [4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethylazanium Traditional Name: [4-[[(3S)-1-(2-furoyl)-3-piperidyl]methoxy]benzyl]-methyl-phenethyl-ammonium Formula: C27H33N2O3+ MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CC=CO4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C27H32N2O3/c1-28(17-15-22-7-3-2-4-8-22)19-23-11-13-25(14-12-23)32-21-24-9-5-16-29(20-24)27(30)26-10-6-18-31-26/h2-4,6-8,10-14,18,24H,5,9,15-17,19-21H2,1H3/p+1/t24-/m0/s1