(2S)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H28ClN3O2/c1-14-17(21)6-5-7-18(14)22-19(25)15(2)23-12-8-16(9-13-23)20(26)24-10-3-4-11-24/h5-7,15-16H,3-4,8-13H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1