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

Systemtic Name: 6-chloranyl-4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methyl-chromen-2-one CAS Name: 6-chloro-4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methylchromen-2-one Traditional Name: 6-chloro-4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-7-methyl-coumarin Formula: C18H21ClNO4+ MolecularWeight: 350.81664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4/c1-12-8-16-14(10-15(12)19)13(9-17(21)24-16)11-20-4-2-18(3-5-20)22-6-7-23-18/h8-10H,2-7,11H2,1H3/p+1