4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 4-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-methyl-1,4-benzoxazin-3-one Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)C

InChI

InChI=1S/C17H23N3O3/c1-3-18-6-8-19(9-7-18)16(21)11-20-14-10-13(2)4-5-15(14)23-12-17(20)22/h4-5,10H,3,6-9,11-12H2,1-2H3/p+1