6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC3)O)Cl)C

Isomeric SMILES

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC3)O)Cl)C

InChI

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