1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-[[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(2-thenyl)piperazin-4-ium Formula: C14H25N3S+2 MolecularWeight: 267.4334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C14H23N3S/c1-3-13(15-5-1)11-16-6-8-17(9-7-16)12-14-4-2-10-18-14/h2,4,10,13,15H,1,3,5-9,11-12H2/p+2/t13-/m0/s1