4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-chromen-2-one CAS Name: 4-(2-isoquinolin-2-iumylmethyl)-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-coumarin Formula: C23H22NO2+ MolecularWeight: 344.42628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC4=CC=CC=C4C=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC4=CC=CC=C4C=C3)C(C)C

InChI

InChI=1S/C23H22NO2/c1-15(2)20-12-21-19(11-23(25)26-22(21)10-16(20)3)14-24-9-8-17-6-4-5-7-18(17)13-24/h4-13,15H,14H2,1-3H3/q+1