(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-acetylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-acetyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-acetylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-acetylpiperazin-1-ium-1-yl)propan-1-one Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-10-15(13(4)21)11(2)18-16(10)17(23)12(3)19-6-8-20(9-7-19)14(5)22/h12,18H,6-9H2,1-5H3/p+1/t12-/m0/s1