dicyclohexyl-[(2S)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium

Systemtic Name: dicyclohexyl-[(2S)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium Openeye Name: [(2S)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-dicyclohexyl-ammonium CAS Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]ammonium IUPAC Name: [(2S)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-dicyclohexylazanium Traditional Name: [(2S)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-dicyclohexyl-ammonium Formula: C29H40N3O+ MolecularWeight: 446.6474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O/c33-26(21-31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-32-28-19-11-10-18-27(28)30-29(32)20-23-12-4-1-5-13-23/h1,4-5,10-13,18-19,24-26,33H,2-3,6-9,14-17,20-22H2/p+1/t26-/m1/s1