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

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(3R)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-[(3R)-3-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)NC(=O)C[NH+]2CCCC(C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-3-28-19-10-9-18(22-21(25)16-23-11-7-8-17(2)15-23)14-20(19)29(26,27)24-12-5-4-6-13-24/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1