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2-(azepan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one

2-(azepan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name:2-(azepan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one
Openeye Name:2-(azepan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one
CAS Name:2-(1-azepan-1-iumylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one
IUPAC Name:2-(azepan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one
Traditional Name:2-(azepan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one
Formula: C17H24N3O3+
MolecularWeight: 318.39076
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCCC3)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCCC3)OC


InChI

InChI=1S/C17H23N3O3/c1-22-14-9-12-13(10-15(14)23-2)18-16(19-17(12)21)11-20-7-5-3-4-6-8-20/h9-10H,3-8,11H2,1-2H3,(H,18,19,21)/p+1


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