(3R)-1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(4-bromanyl-3-methyl-phenyl)-5-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(4-bromo-3-methyl-phenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide Traditional Name: (3R)-1-(4-bromo-3-methyl-phenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H29BrN3O2+ MolecularWeight: 423.36716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3CC[NH+](CC3)C(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C[C@@H](CC2=O)C(=O)NC3CC[NH+](CC3)C(C)C)Br

InChI

InChI=1S/C20H28BrN3O2/c1-13(2)23-8-6-16(7-9-23)22-20(26)15-11-19(25)24(12-15)17-4-5-18(21)14(3)10-17/h4-5,10,13,15-16H,6-9,11-12H2,1-3H3,(H,22,26)/p+1/t15-/m1/s1