1-[4-[(4-bromanyl-3,5-dimethoxy-phenyl)carbonylamino]butyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[4-[(4-bromanyl-3,5-dimethoxy-phenyl)carbonylamino]butyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[4-[(4-bromo-3,5-dimethoxy-benzoyl)amino]butyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[4-[[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]amino]butyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[4-[(4-bromo-3,5-dimethoxybenzoyl)amino]butyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-[(4-bromo-3,5-dimethoxy-benzoyl)amino]butyl]piperidin-1-ium-4-carboxamide Formula: C19H29BrN3O4+ MolecularWeight: 443.35526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCCCC[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCCCC[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C19H28BrN3O4/c1-26-15-11-14(12-16(27-2)17(15)20)19(25)22-7-3-4-8-23-9-5-13(6-10-23)18(21)24/h11-13H,3-10H2,1-2H3,(H2,21,24)(H,22,25)/p+1