2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide Openeye Name: 2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide CAS Name: 2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(3-pyridinyloxy)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)NCCCOC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCOC3=CN=CC=C3

InChI

InChI=1S/C20H26N4O4/c1-15-5-6-17(28-15)14-24-10-9-23-20(26)18(24)12-19(25)22-8-3-11-27-16-4-2-7-21-13-16/h2,4-7,13,18H,3,8-12,14H2,1H3,(H,22,25)(H,23,26)/p+1/t18-/m1/s1