2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide Openeye Name: N,N-diisopropyl-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide Traditional Name: N,N-diisopropyl-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H36N5O4S+ MolecularWeight: 454.60664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O4S/c1-17(2)26(18(3)4)21(27)16-23-7-9-24(10-8-23)20-6-5-19(15-22-20)31(28,29)25-11-13-30-14-12-25/h5-6,15,17-18H,7-14,16H2,1-4H3/p+1