(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O3/c1-14-6-7-15(2)17(13-14)21-19(24)16(3)22-8-10-23(11-9-22)20(25)18-5-4-12-26-18/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,24)/p+1/t16-/m0/s1