4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-6-isopropyl-7-methyl-coumarin Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]34CCN(CC3)CC4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]34CCN(CC3)CC4)C(C)C

InChI

InChI=1S/C20H27N2O2/c1-14(2)17-12-18-16(11-20(23)24-19(18)10-15(17)3)13-22-7-4-21(5-8-22)6-9-22/h10-12,14H,4-9,13H2,1-3H3/q+1