N-butyl-2-[4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C21H32N5O4+ MolecularWeight: 418.50988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H31N5O4/c1-4-5-6-22-20(27)14-26-9-7-25(8-10-26)13-19-23-16-12-18(30-3)17(29-2)11-15(16)21(28)24-19/h11-12H,4-10,13-14H2,1-3H3,(H,22,27)(H,23,24,28)/p+1