(2R)-N-(2-cyanophenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O2/c1-15(19(25)22-18-7-3-2-6-17(18)14-21)23-12-8-16(9-13-23)20(26)24-10-4-5-11-24/h2-3,6-7,15-16H,4-5,8-13H2,1H3,(H,22,25)/p+1/t15-/m1/s1