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

Systemtic Name: [5-(4-methanoylpiperazin-1-yl)sulfonyl-2-methoxy-phenyl]methylazanium Openeye Name: [5-(4-formylpiperazin-1-yl)sulfonyl-2-methoxy-phenyl]methylammonium CAS Name: [5-[(4-formyl-1-piperazinyl)sulfonyl]-2-methoxyphenyl]methylammonium IUPAC Name: [5-(4-formylpiperazin-1-yl)sulfonyl-2-methoxyphenyl]methylazanium Traditional Name: [5-(4-formylpiperazino)sulfonyl-2-methoxy-benzyl]ammonium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O)C[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O)C[NH3+]

InChI

InChI=1S/C13H19N3O4S/c1-20-13-3-2-12(8-11(13)9-14)21(18,19)16-6-4-15(10-17)5-7-16/h2-3,8,10H,4-7,9,14H2,1H3/p+1