N-tert-butyl-2-[4-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide Formula: C21H33N5O2+2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5O2/c1-15(19-22-17-9-6-5-8-16(17)20(28)23-19)26-11-7-10-25(12-13-26)14-18(27)24-21(2,3)4/h5-6,8-9,15H,7,10-14H2,1-4H3,(H,24,27)(H,22,23,28)/p+2/t15-/m1/s1