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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C25H32N4O2/c1-2-31-25-10-4-3-7-21(25)18-28-15-14-27(19-23(28)11-16-30)20-24-9-6-13-29(24)22-8-5-12-26-17-22/h3-10,12-13,17,23,30H,2,11,14-16,18-20H2,1H3/p+1/t23-/m0/s1