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

Systemtic Name: dicyclohexyl-[(2S)-3-[2-(diphenylmethyl)benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-benzhydrylbenzimidazol-1-yl)-2-hydroxy-propyl]-dicyclohexyl-ammonium CAS Name: dicyclohexyl-[(2S)-3-[2-(diphenylmethyl)-1-benzimidazolyl]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2-benzhydrylbenzimidazol-1-yl)-2-hydroxypropyl]-dicyclohexylazanium Traditional Name: [(2S)-3-(2-benzhydrylbenzimidazol-1-yl)-2-hydroxy-propyl]-dicyclohexyl-ammonium Formula: C35H44N3O+ MolecularWeight: 522.74336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O)C6CCCCC6

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@H](CN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)C5=CC=CC=C5)O)C6CCCCC6

InChI

InChI=1S/C35H43N3O/c39-31(25-37(29-19-9-3-10-20-29)30-21-11-4-12-22-30)26-38-33-24-14-13-23-32(33)36-35(38)34(27-15-5-1-6-16-27)28-17-7-2-8-18-28/h1-2,5-8,13-18,23-24,29-31,34,39H,3-4,9-12,19-22,25-26H2/p+1/t31-/m1/s1