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

Systemtic Name: cyclohexyl-[(2S)-3-[2-(diphenylmethyl)benzimidazol-1-yl]-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: [(2S)-3-(2-benzhydrylbenzimidazol-1-yl)-2-hydroxy-propyl]-benzyl-cyclohexyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[2-(diphenylmethyl)-1-benzimidazolyl]-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: [(2S)-3-(2-benzhydrylbenzimidazol-1-yl)-2-hydroxypropyl]-benzyl-cyclohexylazanium Traditional Name: [(2S)-3-(2-benzhydrylbenzimidazol-1-yl)-2-hydroxy-propyl]-benzyl-cyclohexyl-ammonium Formula: C36H40N3O+ MolecularWeight: 530.7223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4N=C3C(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=CC=C2)C[C@H](CN3C4=CC=CC=C4N=C3C(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C36H39N3O/c40-32(26-38(31-21-11-4-12-22-31)25-28-15-5-1-6-16-28)27-39-34-24-14-13-23-33(34)37-36(39)35(29-17-7-2-8-18-29)30-19-9-3-10-20-30/h1-3,5-10,13-20,23-24,31-32,35,40H,4,11-12,21-22,25-27H2/p+1/t32-/m1/s1