N-tert-butyl-2-[4-[2-[methyl-(4-phenylquinazolin-2-yl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[methyl-(4-phenylquinazolin-2-yl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[methyl-(4-phenylquinazolin-2-yl)amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[methyl-(4-phenyl-2-quinazolinyl)amino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[methyl-(4-phenylquinazolin-2-yl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[methyl-(4-phenylquinazolin-2-yl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C27H35N6O2+ MolecularWeight: 475.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C27H34N6O2/c1-27(2,3)30-23(34)18-32-14-16-33(17-15-32)24(35)19-31(4)26-28-22-13-9-8-12-21(22)25(29-26)20-10-6-5-7-11-20/h5-13H,14-19H2,1-4H3,(H,30,34)/p+1