[3-(4-methanoylpiperazin-1-yl)sulfonyl-4-methyl-phenyl]methylazanium

Systemtic Name: [3-(4-methanoylpiperazin-1-yl)sulfonyl-4-methyl-phenyl]methylazanium Openeye Name: [3-(4-formylpiperazin-1-yl)sulfonyl-4-methyl-phenyl]methylammonium CAS Name: [3-[(4-formyl-1-piperazinyl)sulfonyl]-4-methylphenyl]methylammonium IUPAC Name: [3-(4-formylpiperazin-1-yl)sulfonyl-4-methylphenyl]methylazanium Traditional Name: [3-(4-formylpiperazino)sulfonyl-4-methyl-benzyl]ammonium Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH3+])S(=O)(=O)N2CCN(CC2)C=O

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH3+])S(=O)(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C13H19N3O3S/c1-11-2-3-12(9-14)8-13(11)20(18,19)16-6-4-15(10-17)5-7-16/h2-3,8,10H,4-7,9,14H2,1H3/p+1