2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CC4=CC=CS4

InChI

InChI=1S/C20H25N5OS/c26-12-6-17-14-23(10-11-24(17)16-19-5-2-13-27-19)15-18-4-1-9-25(18)20-21-7-3-8-22-20/h1-5,7-9,13,17,26H,6,10-12,14-16H2/p+1/t17-/m0/s1