(E)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-en-1-one Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-30-21-6-4-19(17-22(21)33(28,29)26-12-15-31-16-13-26)5-7-23(27)25-10-8-24(9-11-25)18-20-3-2-14-32-20/h2-7,14,17H,8-13,15-16,18H2,1H3/p+1/b7-5+