(2S)-2-methyl-8-piperazin-4-ium-1-yl-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-methyl-8-(1-piperazin-4-iumyl)-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4H-1,4-benzoxazin-3-one Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C(=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C(=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C13H17N3O2/c1-9-13(17)15-10-3-2-4-11(12(10)18-9)16-7-5-14-6-8-16/h2-4,9,14H,5-8H2,1H3,(H,15,17)/p+1/t9-/m0/s1