1,1-diethylaziridin-1-ium; 4-(thioxanthen-9-ylidenemethyl)phenolate

Systemtic Name: 1,1-diethylaziridin-1-ium; 4-(thioxanthen-9-ylidenemethyl)phenolate Openeye Name: 1,1-diethylaziridin-1-ium; 4-(thioxanthen-9-ylidenemethyl)phenolate CAS Name: 1,1-diethylaziridin-1-ium; 4-(9-thioxanthenylidenemethyl)phenolate IUPAC Name: 1,1-diethylaziridin-1-ium; 4-(thioxanthen-9-ylidenemethyl)phenolate Traditional Name: 1,1-diethylethylenimin-1-ium; 4-(thioxanthen-9-ylidenemethyl)phenolate Formula: C26H27NOS MolecularWeight: 401.56368

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC1)CC.C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)[O-])C4=CC=CC=C4S2

Isomeric SMILES

CC[N+]1(CC1)CC.C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)[O-])C4=CC=CC=C4S2

InChI

InChI=1S/C20H14OS.C6H14N/c21-15-11-9-14(10-12-15)13-18-16-5-1-3-7-19(16)22-20-8-4-2-6-17(18)20;1-3-7(4-2)5-6-7/h1-13,21H;3-6H2,1-2H3/q;+1/p-1