[(2R)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(2R)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(2R)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(2R)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(2R)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(2R)-4-esyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCS(=O)(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H23N3O4S/c1-3-24(21,22)19-12-15(23-14-7-5-4-6-13(14)19)16(20)18-10-8-17(2)9-11-18/h4-7,15H,3,8-12H2,1-2H3/p+1/t15-/m1/s1