(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-phenyl-methanone

Systemtic Name: (8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-phenyl-methanone Openeye Name: (8-methyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-phenyl-methanone CAS Name: (8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-phenylmethanone IUPAC Name: (8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-phenylmethanone Traditional Name: (8-methyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-phenyl-methanone Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-23-14-12-21(13-15-23)22-18(16-8-4-2-5-9-16)20(26)24(21)19(25)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1