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

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=NC=CC=N3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O/c30-18-11-22-19-27(16-17-28(22)14-4-9-21-7-2-1-3-8-21)20-23-10-5-15-29(23)24-25-12-6-13-26-24/h1-3,5-8,10,12-13,15,22,30H,4,9,11,14,16-20H2/p+1/t22-/m0/s1