4-methyl-2-[(phenylmethylsulfanyl)methyl]-4H-quinazolin-3-ium 3-oxide

Systemtic Name: 4-methyl-2-[(phenylmethylsulfanyl)methyl]-4H-quinazolin-3-ium 3-oxide Openeye Name: 2-(benzylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide CAS Name: 4-methyl-2-[(phenylmethylthio)methyl]-4H-quinazolin-3-ium 3-oxide IUPAC Name: 2-(benzylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Traditional Name: 2-[(benzylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H17N2OS/c1-13-15-9-5-6-10-16(15)18-17(19(13)20)12-21-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/q+1