1-(2-oxidanylbenzimidazol-2-yl)-2-[1-[(4-oxidanylphenoxy)methyl]piperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(2-oxidanylbenzimidazol-2-yl)-2-[1-[(4-oxidanylphenoxy)methyl]piperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(2-hydroxybenzimidazol-2-yl)-2-[1-[(4-hydroxyphenoxy)methyl]piperidin-1-ium-1-yl]propan-1-one CAS Name: 1-(2-hydroxy-2-benzimidazolyl)-2-[1-[(4-hydroxyphenoxy)methyl]-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(2-hydroxybenzimidazol-2-yl)-2-[1-[(4-hydroxyphenoxy)methyl]piperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(2-hydroxybenzimidazol-2-yl)-2-[1-[(4-hydroxyphenoxy)methyl]piperidin-1-ium-1-yl]propan-1-one Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(N=C2C=CC=CC2=N1)O)[N+]3(CCCCC3)COC4=CC=C(C=C4)O

Isomeric SMILES

CC(C(=O)C1(N=C2C=CC=CC2=N1)O)[N+]3(CCCCC3)COC4=CC=C(C=C4)O

InChI

InChI=1S/C22H25N3O4/c1-16(21(27)22(28)23-19-7-3-4-8-20(19)24-22)25(13-5-2-6-14-25)15-29-18-11-9-17(26)10-12-18/h3-4,7-12,16,28H,2,5-6,13-15H2,1H3/p+1