1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(3-thiophen-2-ylpropyl)piperazin-4-ium

Systemtic Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(3-thiophen-2-ylpropyl)piperazin-4-ium Openeye Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-[3-(2-thienyl)propyl]piperazin-4-ium CAS Name: 1-[[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-(3-thiophen-2-ylpropyl)piperazin-4-ium IUPAC Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-(3-thiophen-2-ylpropyl)piperazin-4-ium Traditional Name: 1-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-4-[3-(2-thienyl)propyl]piperazin-4-ium Formula: C16H29N3S+2 MolecularWeight: 295.48656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN2CC[NH+](CC2)CCCC3=CC=CS3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN2CC[NH+](CC2)CCCC3=CC=CS3

InChI

InChI=1S/C16H27N3S/c1-4-15(17-7-1)14-19-11-9-18(10-12-19)8-2-5-16-6-3-13-20-16/h3,6,13,15,17H,1-2,4-5,7-12,14H2/p+2/t15-/m0/s1