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

Systemtic Name: (2R)-N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-methylsulfanylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[2-(methylthio)phenyl]-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-methylsulfanylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-[2-(methylthio)phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O2S/c1-15(19(24)21-17-7-3-4-8-18(17)26-2)22-13-9-16(10-14-22)20(25)23-11-5-6-12-23/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1