4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)piperidin-1-ium

Systemtic Name: 4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)piperidin-1-ium Openeye Name: 4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)piperidin-1-ium CAS Name: 4-phenyl-1-[3-(9-thioxanthenylidene)propyl]piperidin-1-ium IUPAC Name: 4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)piperidin-1-ium Traditional Name: 4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)piperidin-1-ium Formula: C27H28NS+ MolecularWeight: 398.58292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CCC=C3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CCC=C3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H27NS/c1-2-9-21(10-3-1)22-16-19-28(20-17-22)18-8-13-23-24-11-4-6-14-26(24)29-27-15-7-5-12-25(23)27/h1-7,9-15,22H,8,16-20H2/p+1