(2S)-2-phenoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

Systemtic Name: (2S)-2-phenoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Openeye Name: (2S)-2-phenoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide CAS Name: (2S)-2-phenoxy-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]propanamide IUPAC Name: (2S)-2-phenoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Traditional Name: (2S)-2-phenoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]propionamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-17(28-18-7-3-2-4-8-18)20(25)22-11-16-29(26,27)24-14-12-23(13-15-24)19-9-5-6-10-21-19/h2-10,17H,11-16H2,1H3,(H,22,25)/p+1/t17-/m0/s1