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

Systemtic Name: cyclohexyl-[(2S)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-cyclohexyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-cyclohexylazanium Traditional Name: benzyl-[(2S)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-cyclohexyl-ammonium Formula: C30H36N3O+ MolecularWeight: 454.62634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=CC=C2)C[C@H](CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)O

InChI

InChI=1S/C30H35N3O/c34-27(22-32(26-16-8-3-9-17-26)21-25-14-6-2-7-15-25)23-33-29-19-11-10-18-28(29)31-30(33)20-24-12-4-1-5-13-24/h1-2,4-7,10-15,18-19,26-27,34H,3,8-9,16-17,20-23H2/p+1/t27-/m1/s1