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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(4-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+]2CCC(CC2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-3-27-18-7-6-17(14-19(18)28(25,26)23-10-4-5-11-23)21-20(24)15-22-12-8-16(2)9-13-22/h6-7,14,16H,3-5,8-13,15H2,1-2H3,(H,21,24)/p+1