(2S)-N-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-chloro-4-fluoro-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-chloro-4-fluoro-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C19H26ClFN3O2+ MolecularWeight: 382.880043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C19H25ClFN3O2/c1-13(18(25)22-17-5-4-15(21)12-16(17)20)23-10-6-14(7-11-23)19(26)24-8-2-3-9-24/h4-5,12-14H,2-3,6-11H2,1H3,(H,22,25)/p+1/t13-/m0/s1