[(2R)-1-(2,5-dimethylfuran-3-yl)carbonylpiperidin-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(2R)-1-(2,5-dimethylfuran-3-yl)carbonylpiperidin-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [(2R)-1-(2,5-dimethylfuran-3-carbonyl)-2-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [(2R)-1-[(2,5-dimethyl-3-furanyl)-oxomethyl]-2-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(2R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [(2R)-1-(2,5-dimethyl-3-furoyl)-2-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCCN2C(=O)C3=C(OC(=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCCN2C(=O)C3=C(OC(=C3)C)C

InChI

InChI=1S/C19H29N3O3/c1-4-20-9-11-21(12-10-20)19(24)17-7-5-6-8-22(17)18(23)16-13-14(2)25-15(16)3/h13,17H,4-12H2,1-3H3/p+1/t17-/m1/s1