(2S)-N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-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(=C1)C#N)[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O2/c1-15(19(25)22-18-6-4-5-16(13-18)14-21)23-11-7-17(8-12-23)20(26)24-9-2-3-10-24/h4-6,13,15,17H,2-3,7-12H2,1H3,(H,22,25)/p+1/t15-/m0/s1