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

Systemtic Name: 2-(heptylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Openeye Name: 2-(heptylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide CAS Name: 2-[(heptylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide IUPAC Name: 2-(heptylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Traditional Name: 2-[(heptylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide Formula: C17H25N2OS+ MolecularWeight: 305.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC1=NC2=CC=CC=C2C([N+]1=O)C

Isomeric SMILES

CCCCCCCSCC1=NC2=CC=CC=C2C([N+]1=O)C

InChI

InChI=1S/C17H25N2OS/c1-3-4-5-6-9-12-21-13-17-18-16-11-8-7-10-15(16)14(2)19(17)20/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3/q+1