[5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[[(3S)-3-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:

CC1CCC[NH+](C1)CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N3O2/c1-13-3-2-8-18(11-13)12-14-4-5-15(21-14)16(20)19-9-6-17-7-10-19/h4-5,13,17H,2-3,6-12H2,1H3/p+2/t13-/m0/s1