[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-3-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(2-furanylmethyl)-1-piperazin-4-iumyl]-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-(4-methoxy-3-morpholinosulfonyl-phenyl)methanone Formula: C21H28N3O6S+ MolecularWeight: 450.52852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H27N3O6S/c1-28-19-5-4-17(15-20(19)31(26,27)24-10-13-29-14-11-24)21(25)23-8-6-22(7-9-23)16-18-3-2-12-30-18/h2-5,12,15H,6-11,13-14,16H2,1H3/p+1