3H-benzimidazol-5-yloxy-(3-methoxypropyl)-[6-(4-methylphenyl)-2-sulfanyl-hexanoyl]-propyl-azanium

Systemtic Name: 3H-benzimidazol-5-yloxy-(3-methoxypropyl)-[6-(4-methylphenyl)-2-sulfanyl-hexanoyl]-propyl-azanium Openeye Name: 3H-benzimidazol-5-yloxy-(3-methoxypropyl)-propyl-[6-(p-tolyl)-2-sulfanyl-hexanoyl]ammonium CAS Name: 3H-benzimidazol-5-yloxy-[2-mercapto-6-(4-methylphenyl)-1-oxohexyl]-(3-methoxypropyl)-propylammonium IUPAC Name: 3H-benzimidazol-5-yloxy-(3-methoxypropyl)-[6-(4-methylphenyl)-2-sulfanylhexanoyl]-propylazanium Traditional Name: 3H-benzimidazol-5-yloxy-[2-mercapto-6-(p-tolyl)hexanoyl]-(3-methoxypropyl)-propyl-ammonium Formula: C27H38N3O3S+ MolecularWeight: 484.67392

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCCOC)(C(=O)C(CCCCC1=CC=C(C=C1)C)S)OC2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC[N+](CCCOC)(C(=O)C(CCCCC1=CC=C(C=C1)C)S)OC2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C27H37N3O3S/c1-4-16-30(17-7-18-32-3,33-23-14-15-24-25(19-23)29-20-28-24)27(31)26(34)9-6-5-8-22-12-10-21(2)11-13-22/h10-15,19-20,26H,4-9,16-18H2,1-3H3,(H-,28,29,34)/p+1