N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C27H34N4OS+2 MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H32N4OS/c32-27(21-31-14-4-8-25(31)26-9-5-19-33-26)28-23-10-12-24(13-11-23)30-17-15-29(16-18-30)20-22-6-2-1-3-7-22/h1-3,5-7,9-13,19,25H,4,8,14-18,20-21H2,(H,28,32)/p+2/t25-/m0/s1