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

Systemtic Name: 2-ethyl-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 2-ethyl-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 2-ethyl-4-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 2-ethyl-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 2-ethyl-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C18H25N3O3/c1-3-15-18(23)21(14-7-5-6-8-16(14)24-15)13-17(22)20-11-9-19(4-2)10-12-20/h5-8,15H,3-4,9-13H2,1-2H3/p+1