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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-16-7-6-10-22(14-16)15-20(24)21-17-8-9-18(27-2)19(13-17)28(25,26)23-11-4-3-5-12-23/h8-9,13,16H,3-7,10-12,14-15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1