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

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O4S/c1-25-17-8-7-15(26(23,24)21-11-3-2-4-12-21)13-16(17)19-18(22)14-20-9-5-6-10-20/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1