4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-7-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-7-methyl-1,4-benzoxazin-3-one Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCN2C(=O)COC3=C2C=CC(=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCN2C(=O)COC3=C2C=CC(=C3)C

InChI

InChI=1S/C18H25N3O3/c1-3-19-8-10-20(11-9-19)17(22)6-7-21-15-5-4-14(2)12-16(15)24-13-18(21)23/h4-5,12H,3,6-11,13H2,1-2H3/p+1