N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C22H37N4O4S+ MolecularWeight: 453.61858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C22H36N4O4S/c1-4-25(5-2)21-9-8-19(31(28,29)26-11-13-30-14-12-26)15-20(21)23-22(27)17-24-10-6-7-18(3)16-24/h8-9,15,18H,4-7,10-14,16-17H2,1-3H3,(H,23,27)/p+1/t18-/m0/s1