2-[(2S)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-2-benzimidazolyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C23H32N5O+ MolecularWeight: 394.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)CC4=CC=CC(=N4)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)CC4=CC=CC(=N4)C

InChI

InChI=1S/C23H31N5O/c1-3-28-22-10-5-4-9-21(22)25-23(28)17-26-12-13-27(20(16-26)11-14-29)15-19-8-6-7-18(2)24-19/h4-10,20,29H,3,11-17H2,1-2H3/p+1/t20-/m0/s1