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

Systemtic Name: 6-chloranyl-4-ethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-chloro-4-ethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-chloro-4-ethyl-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-4-ethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-chloro-4-ethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C16H19ClNO3+ MolecularWeight: 308.77996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3

InChI

InChI=1S/C16H18ClNO3/c1-2-10-7-14(19)21-16-11(10)8-13(17)15(20)12(16)9-18-5-3-4-6-18/h7-8,20H,2-6,9H2,1H3/p+1