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4-azanyl-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione

4-azanyl-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione

Systemtic Name:4-azanyl-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione
Openeye Name:4-amino-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione
CAS Name:4-amino-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione
IUPAC Name:4-amino-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione
Traditional Name:4-amino-3-cycloheptyl-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione
Formula: C17H24N3O2S+
MolecularWeight: 334.45636
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)C3CCCCCC3)N)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)C3CCCCCC3)N)OC


InChI

InChI=1S/C17H23N3O2S/c1-21-14-9-12-13(10-15(14)22-2)19-17(23)20(16(12)18)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,18,19,23)/p+1


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