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

Systemtic Name: 4-butyl-6-chloranyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-butyl-6-chloro-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-butyl-6-chloro-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-butyl-6-chloro-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C19H25ClNO3+ MolecularWeight: 350.8597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H24ClNO3/c1-2-3-7-13-10-17(22)24-19-14(13)11-16(20)18(23)15(19)12-21-8-5-4-6-9-21/h10-11,23H,2-9,12H2,1H3/p+1