2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1-(3-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=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CC4=CSC=C4

InChI

InChI=1S/C20H25N5OS/c26-11-4-18-14-23(9-10-24(18)13-17-5-12-27-16-17)15-19-3-1-8-25(19)20-21-6-2-7-22-20/h1-3,5-8,12,16,18,26H,4,9-11,13-15H2/p+1/t18-/m0/s1