(2S,3R)-1-phenyl-2-piperidin-1-ium-1-yl-3-piperidin-1-yl-3-thiophen-2-yl-propan-1-one

Systemtic Name: (2S,3R)-1-phenyl-2-piperidin-1-ium-1-yl-3-piperidin-1-yl-3-thiophen-2-yl-propan-1-one Openeye Name: (2S,3R)-1-phenyl-2-piperidin-1-ium-1-yl-3-(1-piperidyl)-3-(2-thienyl)propan-1-one CAS Name: (2S,3R)-1-phenyl-2-(1-piperidin-1-iumyl)-3-(1-piperidinyl)-3-thiophen-2-yl-1-propanone IUPAC Name: (2S,3R)-1-phenyl-2-piperidin-1-ium-1-yl-3-piperidin-1-yl-3-thiophen-2-ylpropan-1-one Traditional Name: (2S,3R)-1-phenyl-2-piperidin-1-ium-1-yl-3-piperidino-3-(2-thienyl)propan-1-one Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C(C2=CC=CS2)N3CCCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]([C@H](C2=CC=CS2)N3CCCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2OS/c26-23(19-11-4-1-5-12-19)22(25-16-8-3-9-17-25)21(20-13-10-18-27-20)24-14-6-2-7-15-24/h1,4-5,10-13,18,21-22H,2-3,6-9,14-17H2/p+1/t21-,22-/m0/s1