[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N4O4/c1-4-24(14-20(26)25-9-7-5-6-8-10-25)13-19-22-16-12-18(29-3)17(28-2)11-15(16)21(27)23-19/h11-12H,4-10,13-14H2,1-3H3,(H,22,23,27)/p+1