(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propan-1-one Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O4/c1-12-17(15(4)24)13(2)21-18(12)19(25)14(3)22-7-9-23(10-8-22)20(26)16-6-5-11-27-16/h5-6,11,14,21H,7-10H2,1-4H3/p+1/t14-/m0/s1