2-(butylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide

Systemtic Name: 2-(butylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Openeye Name: 2-(butylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide CAS Name: 2-[(butylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide IUPAC Name: 2-(butylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Traditional Name: 2-[(butylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide Formula: C14H19N2OS+ MolecularWeight: 263.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=NC2=CC=CC=C2C([N+]1=O)C

Isomeric SMILES

CCCCSCC1=NC2=CC=CC=C2C([N+]1=O)C

InChI

InChI=1S/C14H19N2OS/c1-3-4-9-18-10-14-15-13-8-6-5-7-12(13)11(2)16(14)17/h5-8,11H,3-4,9-10H2,1-2H3/q+1