chloranylsulfanyl-ethyl-methoxycarbonyl-(4-phenoxybutyl)azanium

Systemtic Name: chloranylsulfanyl-ethyl-methoxycarbonyl-(4-phenoxybutyl)azanium Openeye Name: chlorosulfanyl-ethyl-methoxycarbonyl-(4-phenoxybutyl)ammonium CAS Name: (chlorothio)-ethyl-methoxycarbonyl-(4-phenoxybutyl)ammonium IUPAC Name: chlorosulfanyl-ethyl-methoxycarbonyl-(4-phenoxybutyl)azanium Traditional Name: carbomethoxy-(chlorothio)-ethyl-(4-phenoxybutyl)ammonium Formula: C14H21ClNO3S+ MolecularWeight: 318.83944

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCCCOC1=CC=CC=C1)(C(=O)OC)SCl

Isomeric SMILES

CC[N+](CCCCOC1=CC=CC=C1)(C(=O)OC)SCl

InChI

InChI=1S/C14H21ClNO3S/c1-3-16(20-15,14(17)18-2)11-7-8-12-19-13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3/q+1