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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@H](C[NH+]2CCCCC2)O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H34N4O3/c1-28(17-25-26-21-8-4-5-9-22(21)27-25)15-19-10-11-23(31-2)24(14-19)32-18-20(30)16-29-12-6-3-7-13-29/h4-5,8-11,14,20,30H,3,6-7,12-13,15-18H2,1-2H3,(H,26,27)/p+2/t20-/m0/s1