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

Systemtic Name: 2-[(2S)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1-(2-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=CC=CC=N3)CCO)CC4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c26-13-8-18-15-23(11-12-24(18)17-20-6-4-14-27-20)16-19-5-3-10-25(19)21-7-1-2-9-22-21/h1-7,9-10,14,18,26H,8,11-13,15-17H2/p+1/t18-/m0/s1