2-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C19H30BrN4O2+ MolecularWeight: 426.3711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C19H29BrN4O2/c1-3-4-7-21-18(25)13-23-8-10-24(11-9-23)14-19(26)22-16-5-6-17(20)15(2)12-16/h5-6,12H,3-4,7-11,13-14H2,1-2H3,(H,21,25)(H,22,26)/p+1