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

Systemtic Name: (3R)-1-(3-bromophenyl)-5-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(3-bromophenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(3-bromophenyl)-5-oxo-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(3-bromophenyl)-5-oxo-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide Traditional Name: (3R)-1-(3-bromophenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C19H27BrN3O2+ MolecularWeight: 409.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H26BrN3O2/c1-13(2)22-8-6-16(7-9-22)21-19(25)14-10-18(24)23(12-14)17-5-3-4-15(20)11-17/h3-5,11,13-14,16H,6-10,12H2,1-2H3,(H,21,25)/p+1/t14-/m1/s1