[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholinosulfonyl-phenyl)methanone Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H27N3O5S/c1-15-2-3-16(27(24,25)21-9-12-26-13-10-21)14-17(15)18(23)20-6-4-19(5-7-20)8-11-22/h2-3,14,22H,4-13H2,1H3/p+1