N-[2-[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-2-cyano-ethanamide

Systemtic Name: N-[2-[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-2-cyano-ethanamide Openeye Name: N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-2-cyano-acetamide CAS Name: N-[2-[3-chloro-5-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethyl]-2-cyanoacetamide IUPAC Name: N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-2-cyanoacetamide Traditional Name: N-[2-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-2-cyano-acetamide Formula: C19H27ClN3O3+ MolecularWeight: 380.88898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCNC(=O)CC#N)Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCNC(=O)CC#N)Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C19H26ClN3O3/c1-25-17-14-15(6-8-22-18(24)5-7-21)13-16(20)19(17)26-12-11-23-9-3-2-4-10-23/h13-14H,2-6,8-12H2,1H3,(H,22,24)/p+1