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

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C21H21ClNO3+ MolecularWeight: 370.84934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClNO3/c1-13-16-8-9-18(24)17(12-23-10-2-3-11-23)20(16)26-21(25)19(13)14-4-6-15(22)7-5-14/h4-9,24H,2-3,10-12H2,1H3/p+1