N-(3-bromanyl-4-methyl-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]acetamide Formula: C18H23BrN3O2+ MolecularWeight: 393.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CO3)Br

InChI

InChI=1S/C18H22BrN3O2/c1-14-4-5-15(11-17(14)19)20-18(23)13-22-8-6-21(7-9-22)12-16-3-2-10-24-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)/p+1