2-(1H-benzimidazol-2-yl)ethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(1H-benzimidazol-2-yl)ethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(1H-benzimidazol-2-yl)ethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(1H-benzimidazol-2-yl)ethyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(1H-benzimidazol-2-yl)ethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(1H-benzimidazol-2-yl)ethyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C25H36N4O3+2 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=NC3=CC=CC=C3N2)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=NC3=CC=CC=C3N2)OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C25H34N4O3/c1-31-23-10-9-19(15-24(23)32-18-20(30)17-29-13-5-2-6-14-29)16-26-12-11-25-27-21-7-3-4-8-22(21)28-25/h3-4,7-10,15,20,26,30H,2,5-6,11-14,16-18H2,1H3,(H,27,28)/p+2/t20-/m1/s1