[(2R)-1-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2R)-1-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-[4-(6-nitro-4-phenyl-2-quinazolinyl)-1-piperazinyl]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2R)-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazino]ethyl]ammonium Formula: C21H23N6O3+ MolecularWeight: 407.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)[NH3+]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)[NH3+]

InChI

InChI=1S/C21H22N6O3/c1-14(22)20(28)25-9-11-26(12-10-25)21-23-18-8-7-16(27(29)30)13-17(18)19(24-21)15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3/p+1/t14-/m1/s1