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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H29N3O4S/c1-15-4-3-7-21(13-15)14-19(23)20-17-6-5-16(2)18(12-17)27(24,25)22-8-10-26-11-9-22/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1