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

Systemtic Name: 2-[(2S)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(3-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=CN=CC=C3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=CN=CC=C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C21H26N4OS/c26-12-7-19-15-23(10-11-24(19)17-21-6-3-13-27-21)16-20-5-2-9-25(20)18-4-1-8-22-14-18/h1-6,8-9,13-14,19,26H,7,10-12,15-17H2/p+1/t19-/m0/s1