(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(furan-3-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(furan-3-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-(3-furylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-(3-furanylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-(3-furfuryl)piperazin-4-ium-2-one Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=COC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=COC=C3

InChI

InChI=1S/C18H27N3O3/c22-17(20-8-4-2-1-3-5-9-20)12-16-18(23)19-7-10-21(16)13-15-6-11-24-14-15/h6,11,14,16H,1-5,7-10,12-13H2,(H,19,23)/p+1/t16-/m1/s1