[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methylazanium

Systemtic Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methylazanium Openeye Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methylammonium CAS Name: [2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methylammonium IUPAC Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methylazanium Traditional Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzyl]ammonium Formula: C13H23N3O3S+2 MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C[NH3+]

InChI

InChI=1S/C13H21N3O3S/c1-15-5-7-16(8-6-15)20(17,18)12-3-4-13(19-2)11(9-12)10-14/h3-4,9H,5-8,10,14H2,1-2H3/p+2