4-[2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethyl]morpholin-4-ium

Systemtic Name: 4-[2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethyl]morpholin-4-ium Openeye Name: 4-[2-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanylethyl]morpholin-4-ium CAS Name: 4-[2-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanylethyl]morpholin-4-ium Traditional Name: 4-[2-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]ethyl]morpholin-4-ium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCC[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCC[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c1-25-18-7-8-20-19(15-18)22-21(24(20)16-17-5-3-2-4-6-17)27-14-11-23-9-12-26-13-10-23/h2-8,15H,9-14,16H2,1H3/p+1