(2S)-N-tert-butyl-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-tert-butyl-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-tert-butyl-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-tert-butyl-2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-tert-butyl-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H34N5O4S+ MolecularWeight: 440.58006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H33N5O4S/c1-16(19(26)22-20(2,3)4)23-7-9-24(10-8-23)18-6-5-17(15-21-18)30(27,28)25-11-13-29-14-12-25/h5-6,15-16H,7-14H2,1-4H3,(H,22,26)/p+1/t16-/m0/s1