[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]methanone

Systemtic Name: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]methanone Openeye Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-[5-(pyrrolidin-1-ium-1-ylmethyl)-2-furyl]methanone CAS Name: [(3S,5S)-3,5-dimethyl-1-piperidinyl]-[5-(1-pyrrolidin-1-iumylmethyl)-2-furanyl]methanone IUPAC Name: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]methanone Traditional Name: [(3S,5S)-3,5-dimethylpiperidino]-[5-(pyrrolidin-1-ium-1-ylmethyl)-2-furyl]methanone Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=C(O2)C[NH+]3CCCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC=C(O2)C[NH+]3CCCC3)C

InChI

InChI=1S/C17H26N2O2/c1-13-9-14(2)11-19(10-13)17(20)16-6-5-15(21-16)12-18-7-3-4-8-18/h5-6,13-14H,3-4,7-12H2,1-2H3/p+1/t13-,14-/m0/s1