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

Systemtic Name: dicyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dicyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]ammonium CAS Name: dicyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]ammonium IUPAC Name: dicyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]azanium Traditional Name: dicyclohexyl-[(2S)-2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propyl]ammonium Formula: C31H44N3O3+ MolecularWeight: 506.69936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N3O3/c1-36-29-18-17-23(19-30(29)37-2)20-31-32-27-15-9-10-16-28(27)34(31)22-26(35)21-33(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h9-10,15-19,24-26,35H,3-8,11-14,20-22H2,1-2H3/p+1/t26-/m1/s1