[(2S)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-dicyclohexyl-azanium

Systemtic Name: [(2S)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-dicyclohexyl-azanium Openeye Name: [(2S)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]-dicyclohexyl-ammonium CAS Name: [(2S)-3-[2-[(4-chlorophenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]-dicyclohexylammonium IUPAC Name: [(2S)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]-dicyclohexylazanium Traditional Name: [(2S)-3-[2-(4-chlorobenzyl)benzimidazol-1-yl]-2-hydroxy-propyl]-dicyclohexyl-ammonium Formula: C29H39ClN3O+ MolecularWeight: 481.09246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(CN2C3=CC=CC=C3N=C2CC4=CC=C(C=C4)Cl)O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=C(C=C4)Cl)O)C5CCCCC5

InChI

InChI=1S/C29H38ClN3O/c30-23-17-15-22(16-18-23)19-29-31-27-13-7-8-14-28(27)33(29)21-26(34)20-32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h7-8,13-18,24-26,34H,1-6,9-12,19-21H2/p+1/t26-/m1/s1