3-(2-hydroxyethyl)-8-methyl-2-[1-(2-propoxyphenyl)piperazin-1-ium-1-yl]sulfonyl-quinazolin-4-one

Systemtic Name: 3-(2-hydroxyethyl)-8-methyl-2-[1-(2-propoxyphenyl)piperazin-1-ium-1-yl]sulfonyl-quinazolin-4-one Openeye Name: 3-(2-hydroxyethyl)-8-methyl-2-[1-(2-propoxyphenyl)piperazin-1-ium-1-yl]sulfonyl-quinazolin-4-one CAS Name: 3-(2-hydroxyethyl)-8-methyl-2-[[1-(2-propoxyphenyl)-1-piperazin-1-iumyl]sulfonyl]-4-quinazolinone IUPAC Name: 3-(2-hydroxyethyl)-8-methyl-2-[1-(2-propoxyphenyl)piperazin-1-ium-1-yl]sulfonylquinazolin-4-one Traditional Name: 3-(2-hydroxyethyl)-8-methyl-2-[1-(2-propoxyphenyl)piperazin-1-ium-1-yl]sulfonyl-quinazolin-4-one Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1[N+]2(CCNCC2)S(=O)(=O)C3=NC4=C(C=CC=C4C)C(=O)N3CCO

Isomeric SMILES

CCCOC1=CC=CC=C1[N+]2(CCNCC2)S(=O)(=O)C3=NC4=C(C=CC=C4C)C(=O)N3CCO

InChI

InChI=1S/C24H31N4O5S/c1-3-17-33-21-10-5-4-9-20(21)28(14-11-25-12-15-28)34(31,32)24-26-22-18(2)7-6-8-19(22)23(30)27(24)13-16-29/h4-10,25,29H,3,11-17H2,1-2H3/q+1