(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(2-methylfuran-3-yl)carbonylpiperidin-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(2-methylfuran-3-yl)carbonylpiperidin-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(2-methylfuran-3-carbonyl)-3-piperidyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(3S)-1-[(2-methyl-3-furanyl)-oxomethyl]-3-piperidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(2-methyl-3-furoyl)-3-piperidyl]methanone Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=C(OC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)C(=O)C3=C(OC=C3)C

InChI

InChI=1S/C18H27N3O3/c1-3-19-8-10-20(11-9-19)17(22)15-5-4-7-21(13-15)18(23)16-6-12-24-14(16)2/h6,12,15H,3-5,7-11,13H2,1-2H3/p+1/t15-/m0/s1