piperazin-4-ium-1-yl-[5-[(1S)-1-piperidin-1-ium-1-ylethyl]furan-2-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)N2CC[NH2+]CC2)[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)N2CC[NH2+]CC2)[NH+]3CCCCC3

InChI

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