(3S)-4-(furan-3-ylmethyl)-3-[2-oxidanylidene-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-4-(furan-3-ylmethyl)-3-[2-oxidanylidene-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3S)-4-(3-furylmethyl)-3-[2-oxo-2-[4-(3-pyridyloxy)-1-piperidyl]ethyl]piperazin-4-ium-2-one CAS Name: (3S)-4-(3-furanylmethyl)-3-[2-oxo-2-[4-(3-pyridinyloxy)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3S)-4-(3-furfuryl)-3-[2-keto-2-[4-(3-pyridyloxy)piperidino]ethyl]piperazin-4-ium-2-one Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CN=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=COC=C4

Isomeric SMILES

C1CN(CCC1OC2=CN=CC=C2)C(=O)C[C@H]3C(=O)NCC[NH+]3CC4=COC=C4

InChI

InChI=1S/C21H26N4O4/c26-20(24-8-3-17(4-9-24)29-18-2-1-6-22-13-18)12-19-21(27)23-7-10-25(19)14-16-5-11-28-15-16/h1-2,5-6,11,13,15,17,19H,3-4,7-10,12,14H2,(H,23,27)/p+1/t19-/m0/s1