3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H23N3OS/c25-20-18-10-4-5-11-19(18)22-21(26)24(20)15-17-9-3-2-8-16(17)14-23-12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-15H2,(H,22,26)/p+1