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

Systemtic Name: 2-[(2S)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CN2C3=CN=CC=C3)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=CN=CC=C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H26N4OS/c26-11-5-20-15-23(9-10-24(20)14-18-6-12-27-17-18)16-21-4-2-8-25(21)19-3-1-7-22-13-19/h1-4,6-8,12-13,17,20,26H,5,9-11,14-16H2/p+1/t20-/m0/s1