1-[(1S)-1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(1S)-1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethyl]piperidin-1-ium-4-ol Openeye Name: 1-[(1S)-1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethyl]piperidin-1-ium-4-ol CAS Name: 1-[(1S)-1-[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]ethyl]-4-piperidin-1-iumol IUPAC Name: 1-[(1S)-1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]piperidin-1-ium-4-ol Traditional Name: 1-[(1S)-1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethyl]piperidin-1-ium-4-ol Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)[NH+]4CCC(CC4)O

Isomeric SMILES

C[C@@H](C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H24ClN3O/c1-15(24-11-9-18(26)10-12-24)21-23-19-13-17(22)7-8-20(19)25(21)14-16-5-3-2-4-6-16/h2-8,13,15,18,26H,9-12,14H2,1H3/p+1/t15-/m0/s1