N-butylsulfonyl-1-[(2,4-dichlorophenyl)methyl]-1-methyl-indazol-1-ium-6-carboxamide

Systemtic Name: N-butylsulfonyl-1-[(2,4-dichlorophenyl)methyl]-1-methyl-indazol-1-ium-6-carboxamide Openeye Name: N-butylsulfonyl-1-[(2,4-dichlorophenyl)methyl]-1-methyl-indazol-1-ium-6-carboxamide CAS Name: N-butylsulfonyl-1-[(2,4-dichlorophenyl)methyl]-1-methyl-6-indazol-1-iumcarboxamide IUPAC Name: N-butylsulfonyl-1-[(2,4-dichlorophenyl)methyl]-1-methylindazol-1-ium-6-carboxamide Traditional Name: N-butylsulfonyl-1-(2,4-dichlorobenzyl)-1-methyl-indazol-1-ium-6-carboxamide Formula: C20H22Cl2N3O3S+ MolecularWeight: 455.37798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)C=N[N+]2(C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)C=N[N+]2(C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3S/c1-3-4-9-29(27,28)24-20(26)14-5-6-15-12-23-25(2,19(15)10-14)13-16-7-8-17(21)11-18(16)22/h5-8,10-12H,3-4,9,13H2,1-2H3/p+1