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

Systemtic Name: dicyclohexyl-[(2S)-2-oxidanyl-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]azanium Openeye Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]ammonium CAS Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]-1-benzimidazolyl]propyl]ammonium IUPAC Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]azanium Traditional Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-(4-phenylbenzyl)benzimidazol-1-yl]propyl]ammonium Formula: C35H44N3O+ MolecularWeight: 522.74336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(CN2C3=CC=CC=C3N=C2CC4=CC=C(C=C4)C5=CC=CC=C5)O)C6CCCCC6

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=C(C=C4)C5=CC=CC=C5)O)C6CCCCC6

InChI

InChI=1S/C35H43N3O/c39-32(25-37(30-14-6-2-7-15-30)31-16-8-3-9-17-31)26-38-34-19-11-10-18-33(34)36-35(38)24-27-20-22-29(23-21-27)28-12-4-1-5-13-28/h1,4-5,10-13,18-23,30-32,39H,2-3,6-9,14-17,24-26H2/p+1/t32-/m1/s1