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

Systemtic Name: (4-chlorophenyl)-(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone Openeye Name: (4-chlorophenyl)-(8-methyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone CAS Name: (4-chlorophenyl)-(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone IUPAC Name: (4-chlorophenyl)-(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone Traditional Name: (4-chlorophenyl)-(8-methyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-24-13-11-21(12-14-24)23-18(15-5-3-2-4-6-15)20(27)25(21)19(26)16-7-9-17(22)10-8-16/h2-10H,11-14H2,1H3/p+1