1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propan-1-one Formula: C20H28N4OS+2 MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CS4

InChI

InChI=1S/C20H26N4OS/c25-20(8-11-22-10-3-5-17(22)18-6-4-16-26-18)24-14-12-23(13-15-24)19-7-1-2-9-21-19/h1-2,4,6-7,9,16-17H,3,5,8,10-15H2/p+2/t17-/m0/s1