N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-26-17-9-8-16(20-19(23)15-21-10-4-2-5-11-21)14-18(17)27(24,25)22-12-6-3-7-13-22/h8-9,14H,2-7,10-13,15H2,1H3,(H,20,23)/p+1