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

Systemtic Name: [5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=C(O2)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-13-9-14(2)11-19(10-13)12-15-3-4-16(22-15)17(21)20-7-5-18-6-8-20/h3-4,13-14,18H,5-12H2,1-2H3/p+2/t13-,14-/m0/s1