4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methyl-6-oxidanyl-chromen-2-one

Systemtic Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methyl-6-oxidanyl-chromen-2-one Openeye Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-hydroxy-7-methyl-chromen-2-one CAS Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-hydroxy-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-hydroxy-7-methylchromen-2-one Traditional Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-hydroxy-7-methyl-coumarin Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC4(CC3)OCCO4)O

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC4(CC3)OCCO4)O

InChI

InChI=1S/C18H21NO5/c1-12-8-16-14(10-15(12)20)13(9-17(21)24-16)11-19-4-2-18(3-5-19)22-6-7-23-18/h8-10,20H,2-7,11H2,1H3/p+1