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

Systemtic Name: 2-[(2S)-1-phenethyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CN2C3=CC=CC=N3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=CC=CC=N3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O/c29-18-12-22-19-26(16-17-27(22)15-11-21-7-2-1-3-8-21)20-23-9-6-14-28(23)24-10-4-5-13-25-24/h1-10,13-14,22,29H,11-12,15-20H2/p+1/t22-/m0/s1