2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H26N4O3/c1-16-22(28)26(19-5-3-4-6-20(19)29-16)15-21(27)23-17-7-9-18(10-8-17)25-13-11-24(2)12-14-25/h3-10,16H,11-15H2,1-2H3,(H,23,27)/p+1/t16-/m0/s1