6-ethanoyl-4-[[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-ethanoyl-4-[[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[3-(4-ethylpiperazin-4-ium-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(=O)C

InChI

InChI=1S/C24H27N3O4/c1-3-25-9-11-26(12-10-25)24(30)20-6-4-5-18(13-20)15-27-21-14-19(17(2)28)7-8-22(21)31-16-23(27)29/h4-8,13-14H,3,9-12,15-16H2,1-2H3/p+1