4-(3-morpholin-4-ylsulfonylpyridin-1-ium-4-yl)-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-(3-morpholin-4-ylsulfonylpyridin-1-ium-4-yl)-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-isopropyl-4-(3-morpholinosulfonylpyridin-1-ium-4-yl)piperazine-1-carboxamide CAS Name: 4-[3-(4-morpholinylsulfonyl)-4-pyridin-1-iumyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-(3-morpholin-4-ylsulfonylpyridin-1-ium-4-yl)-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-isopropyl-4-(3-morpholinosulfonylpyridin-1-ium-4-yl)piperazine-1-carboxamide Formula: C17H28N5O4S+ MolecularWeight: 398.50032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C2=C(C=[NH+]C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C2=C(C=[NH+]C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H27N5O4S/c1-14(2)19-17(23)21-7-5-20(6-8-21)15-3-4-18-13-16(15)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)/p+1