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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3

InChI

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