2-(4-chloranylphenoxy)-2-methyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Openeye Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]propanamide IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Traditional Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]propionamide Formula: C22H30ClN4O4S+ MolecularWeight: 482.016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NCCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN4O4S/c1-22(2,31-19-9-7-18(23)8-10-19)21(28)25-12-5-17-32(29,30)27-15-13-26(14-16-27)20-6-3-4-11-24-20/h3-4,6-11H,5,12-17H2,1-2H3,(H,25,28)/p+1