N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3

InChI

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