4-[1-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-yl]phenol

Systemtic Name: 4-[1-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-yl]phenol Openeye Name: 4-[1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-yl]phenol CAS Name: 4-[1-[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl]-4-piperidin-1-iumyl]phenol IUPAC Name: 4-[1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-yl]phenol Traditional Name: 4-[1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-yl]phenol Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN3O2/c22-17-3-6-19-20(13-17)25(11-12-26)21(23-19)14-24-9-7-16(8-10-24)15-1-4-18(27)5-2-15/h1-6,13,16,26-27H,7-12,14H2/p+1