6-chloranyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]chromone Formula: C17H21ClNO2+ MolecularWeight: 306.80714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClNO2/c1-2-14-5-3-4-8-19(14)10-12-11-21-16-7-6-13(18)9-15(16)17(12)20/h6-7,9,11,14H,2-5,8,10H2,1H3/p+1/t14-/m0/s1