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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C23H35N4O+ MolecularWeight: 383.5502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H34N4O/c28-15-10-22-18-25(13-14-26(22)17-20-6-2-1-3-7-20)19-23-9-5-12-27(23)21-8-4-11-24-16-21/h4-5,8-9,11-12,16,20,22,28H,1-3,6-7,10,13-15,17-19H2/p+1/t22-/m0/s1