6-chloranyl-3,4-dimethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-3,4-dimethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C17H20ClNO3/c1-10-11(2)17(21)22-16-12(10)8-14(18)15(20)13(16)9-19-6-4-3-5-7-19/h8,20H,3-7,9H2,1-2H3/p+1