N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C21H32N4O4S/c26-21(17-23-8-2-1-3-9-23)22-19-16-18(6-7-20(19)24-10-4-5-11-24)30(27,28)25-12-14-29-15-13-25/h6-7,16H,1-5,8-15,17H2,(H,22,26)/p+1