3-(4-ethylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethylphenyl)-1-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethylphenyl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazino]propan-1-one Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H32N4O4S/c1-2-20-3-5-21(6-4-20)7-10-24(29)27-13-11-26(12-14-27)23-9-8-22(19-25-23)33(30,31)28-15-17-32-18-16-28/h3-6,8-9,19H,2,7,10-18H2,1H3/p+1