N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCC3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC[C@@H]3C

InChI

InChI=1S/C21H33N3O4S/c1-3-28-20-11-10-18(29(26,27)24-13-6-4-7-14-24)15-19(20)22-21(25)16-23-12-8-5-9-17(23)2/h10-11,15,17H,3-9,12-14,16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1