4-azanyl-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-3-p-anisyl-1H-quinazolin-3-ium-2-thione Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3NC2=S)N

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3NC2=S)N

InChI

InChI=1S/C16H15N3OS/c1-20-12-8-6-11(7-9-12)10-19-15(17)13-4-2-3-5-14(13)18-16(19)21/h2-9H,10H2,1H3,(H2,17,18,21)/p+1