[4-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]phenyl]methylazanium

Systemtic Name: [4-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]phenyl]methylazanium Openeye Name: [4-[(3-oxopiperazin-1-yl)sulfonylmethyl]phenyl]methylammonium CAS Name: [4-[(3-oxo-1-piperazinyl)sulfonylmethyl]phenyl]methylammonium IUPAC Name: [4-[(3-oxopiperazin-1-yl)sulfonylmethyl]phenyl]methylazanium Traditional Name: [4-[(3-ketopiperazino)sulfonylmethyl]benzyl]ammonium Formula: C12H18N3O3S+ MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C12H17N3O3S/c13-7-10-1-3-11(4-2-10)9-19(17,18)15-6-5-14-12(16)8-15/h1-4H,5-9,13H2,(H,14,16)/p+1