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

Systemtic Name: 4-[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl]piperazin-4-ium-2-one Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H23N3O3/c1-12-9-16(13(2)21(12)10-15-5-4-8-24-15)18(23)14(3)20-7-6-19-17(22)11-20/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1