(2R)-N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-(4-p-anisoylpiperidin-1-ium-1-yl)-N-phenyl-propionamide Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3O3/c1-19(25(30)28(16-6-15-26)22-7-4-3-5-8-22)27-17-13-21(14-18-27)24(29)20-9-11-23(31-2)12-10-20/h3-5,7-12,19,21H,6,13-14,16-18H2,1-2H3/p+1/t19-/m1/s1