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

Systemtic Name: 4-methyl-2-(3-methylbutylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide Openeye Name: 2-(isopentylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide CAS Name: 4-methyl-2-[(3-methylbutylthio)methyl]-4H-quinazolin-3-ium 3-oxide IUPAC Name: 4-methyl-2-(3-methylbutylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide Traditional Name: 2-[(isoamylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide Formula: C15H21N2OS+ MolecularWeight: 277.40504

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSCCC(C)C

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSCCC(C)C

InChI

InChI=1S/C15H21N2OS/c1-11(2)8-9-19-10-15-16-14-7-5-4-6-13(14)12(3)17(15)18/h4-7,11-12H,8-10H2,1-3H3/q+1