furan-3-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone

Systemtic Name: furan-3-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone Openeye Name: 3-furyl-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]-1-piperidyl]methanone CAS Name: 3-furanyl-[(3S)-3-[[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]methyl]-1-piperidinyl]methanone IUPAC Name: furan-3-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone Traditional Name: 3-furyl-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidino]methanone Formula: C29H35N2O3+ MolecularWeight: 459.5998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=COC=C2)COC3=CC=C(C=C3)C[NH+]4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=COC=C2)COC3=CC=C(C=C3)C[NH+]4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N2O3/c32-29(27-14-18-33-22-27)31-15-4-5-24(20-31)21-34-28-10-8-23(9-11-28)19-30-16-12-26(13-17-30)25-6-2-1-3-7-25/h1-3,6-11,14,18,22,24,26H,4-5,12-13,15-17,19-21H2/p+1/t24-/m0/s1