(2R)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanylmethyl]-4-(phenylmethyl)morpholin-4-ium

Systemtic Name: (2R)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanylmethyl]-4-(phenylmethyl)morpholin-4-ium Openeye Name: (2R)-4-benzyl-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanylmethyl]morpholin-4-ium CAS Name: (2R)-2-[[(5-nitro-1-phenyl-2-benzimidazolyl)thio]methyl]-4-(phenylmethyl)morpholin-4-ium IUPAC Name: (2R)-4-benzyl-2-[(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylmethyl]morpholin-4-ium Traditional Name: (2R)-4-benzyl-2-[[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]methyl]morpholin-4-ium Formula: C25H25N4O3S+ MolecularWeight: 461.556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O3S/c30-29(31)21-11-12-24-23(15-21)26-25(28(24)20-9-5-2-6-10-20)33-18-22-17-27(13-14-32-22)16-19-7-3-1-4-8-19/h1-12,15,22H,13-14,16-18H2/p+1/t22-/m1/s1