4-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-3-homoveratryl-1H-quinazolin-3-ium-2-thione Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-22-15-8-7-12(11-16(15)23-2)9-10-21-17(19)13-5-3-4-6-14(13)20-18(21)24/h3-8,11H,9-10H2,1-2H3,(H2,19,20,24)/p+1