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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3

InChI

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