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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-15-5-7-17(8-6-15)14-21-19(24)16(2)22-9-11-23(12-10-22)20(25)18-4-3-13-26-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1