1-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]-N-isobutyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]-N-isobutyl-piperidin-1-ium-4-carboxamide Formula: C18H26BrClN3O2+ MolecularWeight: 431.77494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(C)CNC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C18H25BrClN3O2/c1-12(2)10-21-18(25)13-5-7-23(8-6-13)11-17(24)22-16-4-3-14(19)9-15(16)20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,21,25)(H,22,24)/p+1