furan-2-yl-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-furyl-[4-[(3-morpholinosulfonylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-furanyl-[4-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: furan-2-yl-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-furyl-[4-(3-morpholinosulfonylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H25N3O5S/c24-20(19-5-2-12-28-19)22-8-6-21(7-9-22)16-17-3-1-4-18(15-17)29(25,26)23-10-13-27-14-11-23/h1-5,12,15H,6-11,13-14,16H2/p+1