2-(2-chloranyl-6-methyl-phenoxy)ethyl-(1,4-dithiepan-6-yl)azanium

Systemtic Name: 2-(2-chloranyl-6-methyl-phenoxy)ethyl-(1,4-dithiepan-6-yl)azanium Openeye Name: 2-(2-chloro-6-methyl-phenoxy)ethyl-(1,4-dithiepan-6-yl)ammonium CAS Name: 2-(2-chloro-6-methylphenoxy)ethyl-(1,4-dithiepan-6-yl)ammonium IUPAC Name: 2-(2-chloro-6-methylphenoxy)ethyl-(1,4-dithiepan-6-yl)azanium Traditional Name: 2-(2-chloro-6-methyl-phenoxy)ethyl-(1,4-dithiepan-6-yl)ammonium Formula: C14H21ClNOS2+ MolecularWeight: 318.90564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OCC[NH2+]C2CSCCSC2

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OCC[NH2+]C2CSCCSC2

InChI

InChI=1S/C14H20ClNOS2/c1-11-3-2-4-13(15)14(11)17-6-5-16-12-9-18-7-8-19-10-12/h2-4,12,16H,5-10H2,1H3/p+1