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

Systemtic Name: N-cyclohexyl-4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-cyclohexyl-4-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C22H32N5O4+ MolecularWeight: 430.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C(=O)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C(=O)NC4CCCCC4)OC

InChI

InChI=1S/C22H31N5O4/c1-30-18-12-16-17(13-19(18)31-2)24-20(25-21(16)28)14-26-8-10-27(11-9-26)22(29)23-15-6-4-3-5-7-15/h12-13,15H,3-11,14H2,1-2H3,(H,23,29)(H,24,25,28)/p+1