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

Systemtic Name: dicyclohexyl-[(2S)-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-(1-naphthylmethyl)benzimidazol-1-yl]propyl]ammonium CAS Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-(1-naphthalenylmethyl)-1-benzimidazolyl]propyl]ammonium IUPAC Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propyl]azanium Traditional Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-(1-naphthylmethyl)benzimidazol-1-yl]propyl]ammonium Formula: C33H42N3O+ MolecularWeight: 496.70608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(CN2C3=CC=CC=C3N=C2CC4=CC=CC5=CC=CC=C54)O)C6CCCCC6

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=CC5=CC=CC=C54)O)C6CCCCC6

InChI

InChI=1S/C33H41N3O/c37-29(23-35(27-15-3-1-4-16-27)28-17-5-2-6-18-28)24-36-32-21-10-9-20-31(32)34-33(36)22-26-14-11-13-25-12-7-8-19-30(25)26/h7-14,19-21,27-29,37H,1-6,15-18,22-24H2/p+1/t29-/m1/s1