3-(2-chloranylthioxanthen-9-ylidene)propyl-decyl-dimethyl-azanium

Systemtic Name: 3-(2-chloranylthioxanthen-9-ylidene)propyl-decyl-dimethyl-azanium Openeye Name: 3-(2-chlorothioxanthen-9-ylidene)propyl-decyl-dimethyl-ammonium CAS Name: 3-(2-chloro-9-thioxanthenylidene)propyl-decyl-dimethylammonium IUPAC Name: 3-(2-chlorothioxanthen-9-ylidene)propyl-decyl-dimethylazanium Traditional Name: 3-(2-chlorothioxanthen-9-ylidene)propyl-decyl-dimethyl-ammonium Formula: C28H39ClNS+ MolecularWeight: 457.13396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C28H39ClNS/c1-4-5-6-7-8-9-10-13-20-30(2,3)21-14-16-24-25-15-11-12-17-27(25)31-28-19-18-23(29)22-26(24)28/h11-12,15-19,22H,4-10,13-14,20-21H2,1-3H3/q+1