2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C2=CNC(=C2)C(=O)N3CCCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)C2=CNC(=C2)C(=O)N3CCCC3)C

InChI

InChI=1S/C18H27N3O2/c1-13-7-14(2)11-20(10-13)12-17(22)15-8-16(19-9-15)18(23)21-5-3-4-6-21/h8-9,13-14,19H,3-7,10-12H2,1-2H3/p+1/t13-,14-/m0/s1