[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[1-[2-(3-methylphenoxy)ethyl]-2-benzimidazolyl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2C(CCSC)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2[C@H](CCSC)[NH3+]

InChI

InChI=1S/C20H25N3OS/c1-15-6-5-7-16(14-15)24-12-11-23-19-9-4-3-8-18(19)22-20(23)17(21)10-13-25-2/h3-9,14,17H,10-13,21H2,1-2H3/p+1/t17-/m0/s1