6-chloranyl-7-piperazin-4-ium-1-ylsulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-piperazin-4-ium-1-ylsulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-piperazin-4-ium-1-ylsulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-(1-piperazin-4-iumylsulfonyl)-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-piperazin-4-ium-1-ylsulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-piperazin-4-ium-1-ylsulfonyl-4H-1,4-benzoxazin-3-one Formula: C12H15ClN3O4S+ MolecularWeight: 332.7832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C12H14ClN3O4S/c13-8-5-9-10(20-7-12(17)15-9)6-11(8)21(18,19)16-3-1-14-2-4-16/h5-6,14H,1-4,7H2,(H,15,17)/p+1