[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]-1-piperidyl]-(2-thienyl)methanone CAS Name: [(3S)-3-[[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]methyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidino]-(2-thienyl)methanone Formula: C29H35N2O2S+ MolecularWeight: 475.6654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)COC3=CC=C(C=C3)C[NH+]4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)COC3=CC=C(C=C3)C[NH+]4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N2O2S/c32-29(28-9-5-19-34-28)31-16-4-6-24(21-31)22-33-27-12-10-23(11-13-27)20-30-17-14-26(15-18-30)25-7-2-1-3-8-25/h1-3,5,7-13,19,24,26H,4,6,14-18,20-22H2/p+1/t24-/m0/s1