3-[methyl-(4-methylsulfonylphenyl)carbonyl-amino]propylazanium

Systemtic Name: 3-[methyl-(4-methylsulfonylphenyl)carbonyl-amino]propylazanium Openeye Name: 3-[methyl-(4-methylsulfonylbenzoyl)amino]propylammonium CAS Name: 3-[methyl-[(4-methylsulfonylphenyl)-oxomethyl]amino]propylammonium IUPAC Name: 3-[methyl-(4-methylsulfonylbenzoyl)amino]propylazanium Traditional Name: 3-[(4-mesylbenzoyl)-methyl-amino]propylammonium Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH3+])C(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CN(CCC[NH3+])C(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H18N2O3S/c1-14(9-3-8-13)12(15)10-4-6-11(7-5-10)18(2,16)17/h4-7H,3,8-9,13H2,1-2H3/p+1