[4-(piperidin-1-ium-1-ylmethyl)phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

Systemtic Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone Openeye Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]methanone CAS Name: [4-(1-piperidin-1-iumylmethyl)phenyl]-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methanone IUPAC Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone Traditional Name: [4-(piperidin-1-ium-1-ylmethyl)phenyl]-[(2S)-2-(2-thienyl)pyrrolidino]methanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C21H26N2OS/c24-21(23-14-4-6-19(23)20-7-5-15-25-20)18-10-8-17(9-11-18)16-22-12-2-1-3-13-22/h5,7-11,15,19H,1-4,6,12-14,16H2/p+1/t19-/m0/s1