N-(2,6-dimethylphenyl)-2-[4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-(4-keto-1H-quinazolin-2-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H29N5O3/c1-17-6-5-7-18(2)24(17)28-22(31)16-29-12-14-30(15-13-29)23(32)11-10-21-26-20-9-4-3-8-19(20)25(33)27-21/h3-9H,10-16H2,1-2H3,(H,28,31)(H,26,27,33)/p+1