dimethyl-[3-(2-piperidin-1-ylthioxanthen-9-ylidene)propyl]azanium

Systemtic Name: dimethyl-[3-(2-piperidin-1-ylthioxanthen-9-ylidene)propyl]azanium Openeye Name: dimethyl-[3-[2-(1-piperidyl)thioxanthen-9-ylidene]propyl]ammonium CAS Name: dimethyl-[3-[2-(1-piperidinyl)-9-thioxanthenylidene]propyl]ammonium IUPAC Name: dimethyl-[3-(2-piperidin-1-ylthioxanthen-9-ylidene)propyl]azanium Traditional Name: dimethyl-[3-(2-piperidinothioxanthen-9-ylidene)propyl]ammonium Formula: C23H29N2S+ MolecularWeight: 365.55476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)N4CCCCC4

Isomeric SMILES

C[NH+](C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H28N2S/c1-24(2)14-8-10-19-20-9-4-5-11-22(20)26-23-13-12-18(17-21(19)23)25-15-6-3-7-16-25/h4-5,9-13,17H,3,6-8,14-16H2,1-2H3/p+1