3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-quinazolin-4-one

Systemtic Name: 3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-quinazolin-4-one Openeye Name: 3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-2-thioxo-quinazolin-4-one CAS Name: 3-phenyl-1-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-4-quinazolinone IUPAC Name: 3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidenequinazolin-4-one Traditional Name: 3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-2-thioxo-quinazolin-4-one Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS/c24-19-17-11-5-6-12-18(17)22(15-21-13-7-2-8-14-21)20(25)23(19)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2/p+1