(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O2/c1-16-14-20(17(2)27(16)15-19-6-4-13-29-19)21(28)18(3)25-9-11-26(12-10-25)22-23-7-5-8-24-22/h4-8,13-14,18H,9-12,15H2,1-3H3/p+1/t18-/m0/s1