(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C25H36N4O3+2 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH2+]CC3=CC=CC=C3OCC(C[NH+]4CCCCC4)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH2+]CC3=CC=CC=C3OC[C@@H](C[NH+]4CCCCC4)O)N(C1=O)C

InChI

InChI=1S/C25H34N4O3/c1-27-22-11-10-19(14-23(22)28(2)25(27)31)15-26-16-20-8-4-5-9-24(20)32-18-21(30)17-29-12-6-3-7-13-29/h4-5,8-11,14,21,26,30H,3,6-7,12-13,15-18H2,1-2H3/p+2/t21-/m1/s1