2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(2-furfuryl)piperazin-1-ium-1-yl]-N-p-cumenyl-acetamide Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-16(2)17-5-7-18(8-6-17)21-20(24)15-23-11-9-22(10-12-23)14-19-4-3-13-25-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,21,24)/p+1