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

Systemtic Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-6-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-ethylpiperazin-4-ium-1-carbonyl)benzyl]-6-methyl-1,4-benzoxazin-3-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-3-24-10-12-25(13-11-24)23(28)19-7-5-18(6-8-19)15-26-20-14-17(2)4-9-21(20)29-16-22(26)27/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1