(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-morpholinosulfonylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N4O4S/c27-22(25-13-11-24(12-14-25)21-3-1-2-10-23-21)9-6-19-4-7-20(8-5-19)31(28,29)26-15-17-30-18-16-26/h1-10H,11-18H2/p+1/b9-6+