(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-p-cumenyl-propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c1-15(2)17-6-8-18(9-7-17)22-20(25)16(3)23-10-12-24(13-11-23)21(26)19-5-4-14-27-19/h4-9,14-16H,10-13H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1