[5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N3O2/c1-13-4-2-3-9-19(13)12-14-5-6-15(21-14)16(20)18-10-7-17-8-11-18/h5-6,13,17H,2-4,7-12H2,1H3/p+2/t13-/m0/s1