N-(2,3-dimethylphenyl)-2-[4-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C27H34N5O3+ MolecularWeight: 476.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCCN3C=NC4=C(C3=O)C=CC=C4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCCN3C=NC4=C(C3=O)C=CC=C4C)C

InChI

InChI=1S/C27H33N5O3/c1-19-7-5-10-23(21(19)3)29-24(33)17-30-13-15-31(16-14-30)25(34)11-6-12-32-18-28-26-20(2)8-4-9-22(26)27(32)35/h4-5,7-10,18H,6,11-17H2,1-3H3,(H,29,33)/p+1