1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H26ClN3OS/c22-18-7-5-17(6-8-18)15-23-10-12-24(13-11-23)21(26)16-25-9-1-3-19(25)20-4-2-14-27-20/h2,4-8,14,19H,1,3,9-13,15-16H2/p+1/t19-/m0/s1