dicyclohexyl-[(2S)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: dicyclohexyl-[(2S)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propyl]ammonium CAS Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]-1-benzimidazolyl]propyl]ammonium IUPAC Name: dicyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propyl]azanium Traditional Name: dicyclohexyl-[(2S)-2-hydroxy-3-(2-p-anisylbenzimidazol-1-yl)propyl]ammonium Formula: C30H42N3O2+ MolecularWeight: 476.67338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(C[NH+](C4CCCCC4)C5CCCCC5)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2C[C@@H](C[NH+](C4CCCCC4)C5CCCCC5)O

InChI

InChI=1S/C30H41N3O2/c1-35-27-18-16-23(17-19-27)20-30-31-28-14-8-9-15-29(28)33(30)22-26(34)21-32(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h8-9,14-19,24-26,34H,2-7,10-13,20-22H2,1H3/p+1/t26-/m1/s1