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

Systemtic Name: 6-chloranyl-3,4-dimethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C16H19ClNO3+ MolecularWeight: 308.77996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3)C

InChI

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