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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5O2/c1-16-6-5-7-17(2)22(16)26-21(29)15-28-12-10-27(11-13-28)14-20-24-19-9-4-3-8-18(19)23(30)25-20/h3-9H,10-15H2,1-2H3,(H,26,29)(H,24,25,30)/p+1