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

Systemtic Name: (2R)-6-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-2-isopropyl-6-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: (2R)-6-methyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-2-isopropyl-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-6-methyl-1,4-benzoxazin-3-one Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CC[NH+](CC3)C)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)N3CC[NH+](CC3)C)C(C)C

InChI

InChI=1S/C19H27N3O3/c1-13(2)18-19(24)22(15-11-14(3)5-6-16(15)25-18)12-17(23)21-9-7-20(4)8-10-21/h5-6,11,13,18H,7-10,12H2,1-4H3/p+1/t18-/m1/s1