1-[(2,4-dichlorophenyl)methyl]-1-methyl-7-oxidanylidene-N-pentylsulfonyl-quinazolin-1-ium-2-carboxamide

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-7-oxidanylidene-N-pentylsulfonyl-quinazolin-1-ium-2-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-7-oxo-N-pentylsulfonyl-quinazolin-1-ium-2-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-7-oxo-N-pentylsulfonyl-2-quinazolin-1-iumcarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-1-methyl-7-oxo-N-pentylsulfonylquinazolin-1-ium-2-carboxamide Traditional Name: N-amylsulfonyl-1-(2,4-dichlorobenzyl)-7-keto-1-methyl-quinazolin-1-ium-2-carboxamide Formula: C22H24Cl2N3O4S+ MolecularWeight: 497.41466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=NC=C2C=CC(=O)C=C2[N+]1(C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=NC=C2C=CC(=O)C=C2[N+]1(C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O4S/c1-3-4-5-10-32(30,31)26-22(29)21-25-13-15-7-9-18(28)12-20(15)27(21,2)14-16-6-8-17(23)11-19(16)24/h6-9,11-13H,3-5,10,14H2,1-2H3/p+1