7-methoxycarbonyl-4-oxidanylidene-3-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinazolin-2-olate

Systemtic Name: 7-methoxycarbonyl-4-oxidanylidene-3-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinazolin-2-olate Openeye Name: 7-methoxycarbonyl-4-oxo-3-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinazolin-2-olate CAS Name: 7-methoxycarbonyl-4-oxo-3-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]-2-quinazolinolate IUPAC Name: 7-methoxycarbonyl-4-oxo-3-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinazolin-2-olate Traditional Name: 7-carbomethoxy-4-keto-3-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinazolin-2-olate Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1[O-])[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1[O-])[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4/c1-16(25-10-12-26(13-11-25)18-6-4-3-5-7-18)15-27-21(28)19-9-8-17(22(29)31-2)14-20(19)24-23(27)30/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,30)/t16-/m0/s1