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

Systemtic Name: 4-[[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-ethylpiperazin-4-ium-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3/c1-2-23-10-12-24(13-11-23)22(27)18-7-5-6-17(14-18)15-25-19-8-3-4-9-20(19)28-16-21(25)26/h3-9,14H,2,10-13,15-16H2,1H3/p+1