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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC[C@@H]2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-3-27-18-10-9-17(14-19(18)28(25,26)23-12-6-7-13-23)21-20(24)15-22-11-5-4-8-16(22)2/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1