6-chloranyl-3-ethyl-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-ethyl-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C19H25ClNO3+ MolecularWeight: 350.8597

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC(C3)C)O)Cl)C

Isomeric SMILES

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCC[C@H](C3)C)O)Cl)C

InChI

InChI=1S/C19H24ClNO3/c1-4-13-12(3)14-8-16(20)17(22)15(18(14)24-19(13)23)10-21-7-5-6-11(2)9-21/h8,11,22H,4-7,9-10H2,1-3H3/p+1/t11-/m1/s1