2,2-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 2,2-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-4H-1,4-benzoxazin-3-one Openeye Name: 2,2-dimethyl-6-(4-methylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2,2-dimethyl-6-(4-methylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzoxazin-3-one Traditional Name: 2,2-dimethyl-6-(4-methylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzoxazin-3-one Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(O1)C=CC(=C2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1(C(=O)NC2=C(O1)C=CC(=C2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C16H21N3O3/c1-16(2)15(21)17-12-10-11(4-5-13(12)22-16)14(20)19-8-6-18(3)7-9-19/h4-5,10H,6-9H2,1-3H3,(H,17,21)/p+1