N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2-methoxyethanoylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2-methoxyethanoylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(2-methoxyacetyl)amino]piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(2-methoxy-1-oxoethyl)amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[(2-methoxyacetyl)amino]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(2-methoxyacetyl)amino]piperidin-1-ium-1-yl]acetamide Formula: C17H25BrN3O3+ MolecularWeight: 399.3027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)COC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)COC)Br

InChI

InChI=1S/C17H24BrN3O3/c1-12-3-4-15(14(18)9-12)20-16(22)10-21-7-5-13(6-8-21)19-17(23)11-24-2/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,22)/p+1